BDBM78576 CIS-THIOTHIXENE::MLS000028463::SMR000058396::THIOTHIXENE::cid_941651::med.21724, Compound Thiothixene

SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1

InChI Key InChIKey=GFBKORZTTCHDGY-UHFFFAOYSA-N

Data  48 KI  2 IC50  4 EC50

  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 54 hits for monomerid = 78576   

TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataEC50:  1.26E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataEC50:  7.10E+3nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataIC50: 3.04E+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 Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataEC50:  5.31E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetOrf1a protein(MERS-CoV)
University of Bonn

LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataEC50:  9.29E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  0.120nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/3/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  0.450nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2011
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  0.450nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Rat)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  0.630nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Rat)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  0.630nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details
PubMed
TargetD(2) dopamine receptor(Rat)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  0.660nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2011
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2012
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed
TargetHistamine H1 receptor(Human)
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  4.40nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  5.88nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2011
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Mayo Foundation

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
TargetD(4) dopamine receptor(Human)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  6.40nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/3/2012
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  11.0nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2011
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  12nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details
PubMed
TargetAlpha-1A adrenergic receptor(Rat)
Janssen Pharmaceutica

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  25nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2011
Entry Details Article
PubMed
TargetHistamine H1 receptor(Rat)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  27nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Rat)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  45nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Stanford University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  50nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Stanford University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  50nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Stanford University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  50.1nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details
PubMed
TargetD(4) dopamine receptor(Rat)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  77nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  130nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2011
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  145nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  200nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2011
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  200nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
University of Washington

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  320nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2012
Entry Details Article
PubMed
TargetD(4) dopamine receptor(Human)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  410nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details
PubMed
TargetD(1A) dopamine receptor(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  540nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details
PubMed
TargetD(1A) dopamine receptor(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  540nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2012
Entry Details Article
PubMed
TargetD(4) dopamine receptor(Human)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  685nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/29/2012
Entry Details
PubMed
TargetAlpha-2C adrenergic receptor(Rat)
Janssen Pharmaceutica

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.20E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.31E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2012
Entry Details
PubMed
TargetAlpha-2C adrenergic receptor(Rat)
Janssen Pharmaceutica

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.40E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2011
Entry Details Article
PubMed
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.41E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2011
Entry Details Article
PubMed
TargetD(1A) dopamine receptor(Rat)
UniversitÉ

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.52E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2011
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.54E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Stanford University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.55E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2C(Rat)
Stanford University

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.58E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2011
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  1.60E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2011
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  2.10E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2011
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  2.60E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2011
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  2.90E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2011
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM78576(MLS000028463 | cid_941651 | SMR000058396 | CIS-THI...)
Affinity DataKi:  2.94E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2011
Entry Details Article
PubMed
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