BDBM50001728 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine::8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine::ALPRAZOLAM::CHEMBL661::Xanax

SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12

InChI Key InChIKey=VREFGVBLTWBCJP-UHFFFAOYSA-N

Data  12 KI  3 IC50  1 Kd  4 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50001728   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL

LigandBDBM50001728(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)Copy SMILESCopy InChI

Affinity DataKd:  2.46E+3nMAssay Description:Binding affinity to BRD4-BD1 by isothermal titration calorimetryMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankKEGGMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI