BDBM50255794 4-[2-(6-Oxo-6,7,8,9-tetrahydro-2,7,9a-triaza-benzo[cd]azulen-1-yl)-ethyl]-benzoic acid ethyl ester::CHEMBL481403

SMILES: CCOC(=O)c1ccc(CCc2nc3cccc4C(=O)NCCn2c34)cc1

InChI Key: InChIKey=KQDWABVCWKXSHQ-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 = 50255794   

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))	BDBM50255794 (4-[2-(6-Oxo-6,7,8,9-tetrahydro-2,7,9a-triaza-benzo...) Show SMILES CCOC(=O)c1ccc(CCc2nc3cccc4C(=O)NCCn2c34)cc1 Show InChI InChI=1S/C21H21N3O3/c1-2-27-21(26)15-9-6-14(7-10-15)8-11-18-23-17-5-3-4-16-19(17)24(18)13-12-22-20(16)25/h3-7,9-10H,2,8,11-13H2,1H3,(H,22,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP1				J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW
					More data for this Ligand-Target Pair