BDBM27135 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide::VELIPARIB::benzimidazole carboxamide, 3a

SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1

InChI Key InChIKey=JNAHVYVRKWKWKQ-CYBMUJFWSA-N

Data  2 KI  45 IC50  2 Kd  5 EC50

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 27135   

TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL

LigandBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Copy SMILESCopy InChI

Affinity DataIC50:  6nMAssay Description:Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometryMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathway
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
DrugBankMCE
MMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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