BDBM50306190 2-(4-((N-methylazetidine-3-carboxamido)methyl)phenyl)-2H-indazole-7-carboxamide::CHEMBL594312

SMILES: CN(Cc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1)C(=O)C1CNC1

InChI Key: InChIKey=KCNQJKWZLYMXQS-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306190   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306190 (2-(4-((N-methylazetidine-3-carboxamido)methyl)phen...) Show SMILES CN(Cc1ccc(cc1)-n1cc2cccc(C(N)=O)c2n1)C(=O)C1CNC1 Show InChI InChI=1S/C20H21N5O2/c1-24(20(27)15-9-22-10-15)11-13-5-7-16(8-6-13)25-12-14-3-2-4-17(19(21)26)18(14)23-25/h2-8,12,15,22H,9-11H2,1H3,(H2,21,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 after 3 hrs using [3H]NAD+ by scintillation proximity assay				Bioorg Med Chem Lett 20: 488-92 (2010) Article DOI: 10.1016/j.bmcl.2009.11.127 BindingDB Entry DOI: 10.7270/Q2W37WFZ
					More data for this Ligand-Target Pair