BDBM50154739 6-(4-Chloro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]indole-7-carbaldehyde oxime::CHEMBL186461

SMILES: Clc1ccc(cc1)-c1c(CN=O)c2cccc3C(=O)NCCn1c23

InChI Key: InChIKey=QEHIFSSBVSPFIV-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50154739   

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))	BDBM50154739 (6-(4-Chloro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]...) Show SMILES Clc1ccc(cc1)-c1c(CN=O)c2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C18H14ClN3O2/c19-12-6-4-11(5-7-12)16-15(10-21-24)13-2-1-3-14-17(13)22(16)9-8-20-18(14)23/h1-7H,8-10H2,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human PARP-1				J Med Chem 54: 2529-91 (2011) Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50154739 (6-(4-Chloro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]...) Show SMILES Clc1ccc(cc1)-c1c(CN=O)c2cccc3C(=O)NCCn1c23 Show InChI InChI=1S/C18H14ClN3O2/c19-12-6-4-11(5-7-12)16-15(10-21-24)13-2-1-3-14-17(13)22(16)9-8-20-18(14)23/h1-7H,8-10H2,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global R&D--La Jolla Laboratories Curated by ChEMBL					Assay Description Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme				J Med Chem 47: 5467-81 (2004) Article DOI: 10.1021/jm030513r BindingDB Entry DOI: 10.7270/Q2PK0FM4
					More data for this Ligand-Target Pair