BDBM50154750 6-(4-Pyrrol-1-ylmethyl-phenyl)-3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-one::CHEMBL188989

SMILES: O=C1NCCn2c(cc3cccc1c23)-c1ccc(Cn2cccc2)cc1

InChI Key: InChIKey=VNJHSZOLWJECAT-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50154750   

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))	BDBM50154750 (6-(4-Pyrrol-1-ylmethyl-phenyl)-3,4-dihydro-2H-[1,4...) Show SMILES O=C1NCCn2c(cc3cccc1c23)-c1ccc(Cn2cccc2)cc1 Show InChI InChI=1S/C22H19N3O/c26-22-19-5-3-4-18-14-20(25(21(18)19)13-10-23-22)17-8-6-16(7-9-17)15-24-11-1-2-12-24/h1-9,11-12,14H,10,13,15H2,(H,23,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	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