BDBM31774 CHEMBL104::Canesten::Clotrimazole::Lotrimin::Mycelex::US9138393, Clotrimazole::cid_2812

SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1

InChI Key InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N

Data  7 KI  54 IC50  10 Kd  3 EC50

PDB links: 9 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 74 hits for monomerid = 31774   

TargetBeta-lactamase(Escherichia coli (strain K12))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 2.00E+4nMAssay Description:Compound was tested for the inhibition of beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile acid receptor(Human)
City of Hope National Medical Center

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 3.24E+3nMAssay Description:Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-X-C chemokine receptor type 1(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated lucifera...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-X-C chemokine receptor type 1(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.08E+4nMAssay Description:Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arr...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-X-C chemokine receptor type 1(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 7.90E+3nMAssay Description:Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by bet...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetVasopressin V2 receptor(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruit...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetVasopressin V2 receptor(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.51E+4nMAssay Description:Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measure...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetC-C chemokine receptor type 4(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment medi...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 360nMAssay Description:Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] effluxMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAromatase(Human)
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human placental microsome CYP19More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMalate dehydrogenase, cytoplasmic(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of malate dehydrogenase (MDH)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetChymotrypsinogen A(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 8.50E+4nMAssay Description:Compound was tested for the inhibition of ChymotrypsinogenMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Mouse)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Mouse)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 3.02E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 20nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataEC50:  2.70E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetTransient receptor potential cation channel subfamily M member 8(Human)
Instituto De Qu£Mica M£Dica

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 8.00E+3nMAssay Description:Antagonist activity at TRPM8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR-activated current by whole cell patch clamp electrophysiologyMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Pig)
University of Chemistry and Technology Prague

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of pig gastric mucosa Potassium-transporting ATPase by malachite green based colorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 50nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of p97 (unknown origin) assessed as reduction in ATPase activityMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of p97 in human HeLa cells assessed as reduction in p97-dependent UbG76V-GFP degradation incubated for 1 hr by luciferase reporter gene as...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 67nMAssay Description:Inhibition of recombinant human CYP3A4 using Luciferin-PPXE as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins b...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetATP-dependent translocase ABCB1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 6.70E+3nMAssay Description:Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf21 cell membrane vesicles assessed as reduction in ATP-dependent [3H]-tauroc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 6.70E+3nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Mouse)
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 5.16E+4nMAssay Description:Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIndoleamine 2,3-dioxygenase 2(Mouse)
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistidine-rich protein PFHRP-II(malaria parasite P. falciparum)
Universita' Di Siena

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 2.50E+9nMAssay Description:Inhibition of beta-hematin formationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLanosterol 14-alpha demethylase(Human)
Act

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 130nMAssay Description:Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 130(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of California San Francisco

LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataKd:  6.10E+3nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C8(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 803nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLanosterol 14a-demethylase(Neosartorya fumigata)
Swansea University

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataKd:  103nMAssay Description:Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affin...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 136nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 883nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 7.41E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 300nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 5.00E+5nMpH: 7.4 T: 2°CAssay Description:Microsomal preparation: One lobe of fresh pig liver is obtained (e.g., at about the time of slaughter from a food-processing company) and immediately...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataIC50: 1.25E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 130(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
University of California San Francisco

LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataKd:  1.33E+4nMAssay Description:Binding assay using CYP130, CYP130 (G234) or CYP142.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataKd:  3.80E+3nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataKd:  5.30E+3nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 144(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataKd:  370nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataEC50:  4.69E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31774(cid_2812 | CHEMBL104 | Canesten | Mycelex | Lotrim...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
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