BDBM179283 US9125915, compound 6

SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1

InChI Key InChIKey=GGRCIHACOIMRKY-HNNXBMFYSA-N

Data  2 KI  3 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 179283   

TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL

LigandBDBM179283(US9125915, compound 6)Copy SMILESCopy InChI

Affinity DataKi:  17nMAssay Description:Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugat...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL

LigandBDBM179283(US9125915, compound 6)Copy SMILESCopy InChI

Affinity DataKi:  17nMAssay Description:Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetAdenosine receptor A3(Human)
Abbvie

Curated by ChEMBL

LigandBDBM179283(US9125915, compound 6)Copy SMILESCopy InChI

Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of adenosine A3 receptor (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

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In DepthDetails ArticlePubMed
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TargetPutative peripheral benzodiazepine receptor-related protein(Human)
Abbvie

Curated by ChEMBL

LigandBDBM179283(US9125915, compound 6)Copy SMILESCopy InChI

Affinity DataIC50:  400nMAssay Description:Inhibition of peripheral-type benzodiazepine receptor (unknown origin)More data for this Ligand-Target Pair

Target InfoUniProtKB/SwissProt
antibodypediaGoogleScholar

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In DepthDetails ArticlePubMed
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TargetBromodomain-containing protein 4/Histone H4(Human)
Mitsubishi Tanabe Pharma

US Patent

LigandBDBM179283(US9125915, compound 6)Copy SMILESCopy InChI

Affinity DataIC50:  18.2nMT: 25°CAssay Description:An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Bi...More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In DepthDetails US Patent
PDB3D Structure (crystal)
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