BDBM50266869 CHEMBL4094163

SMILES Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N

InChI Key InChIKey=GVCHBMCBPBRORW-UHFFFAOYSA-N

Data  17 IC50

PDB links: 7 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50266869   

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 191nMAssay Description:Inhibition of HIV1 RT K103N mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 180nMAssay Description:Inhibition of human ERG expressed in CHO cells by manual patch clamp techniqueMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/23/2022
Entry Details Article
Copy Entry DOIPubMed
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TargetReverse transcriptase/RNaseH(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 101nMAssay Description:Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISAMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/23/2022
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 1.32E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 149nMAssay Description:Inhibition of HIV1 RT Y181C mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 5.92E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 186nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by whole cell electrophysiology assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 106nMAssay Description:Inhibition of HIV1 RT V106A/F227L mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] i...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 301nMAssay Description:Inhibition of HIV1 RT Y188L mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 186nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by patch clamp methodMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2020
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 101nMAssay Description:Inhibition of HIV1 RT in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr b...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 2.12E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 1.52E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 99nMAssay Description:Inhibition of HIV1 RT L100I mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 107nMAssay Description:Inhibition of HIV1 RT K103N/Y181C mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] i...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetReverse transcriptase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 350nMAssay Description:Inhibition of HIV1 RT E138K mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubat...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL

LigandBDBM50266869(CHEMBL4094163)Copy SMILESCopy InChI

Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate incubated for 10 mins in presence of NADPHMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL