BDBM50309232 6-(4-fluoro-3-(4-(1-(methylamino)cyclopentanecarbonyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one::CHEMBL597313

SMILES: CNC1(CCCC1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c(C)c2C)ccc1F

InChI Key: InChIKey=AIHVYRFQEKDZCU-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 = 50309232   

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))	BDBM50309232 (6-(4-fluoro-3-(4-(1-(methylamino)cyclopentanecarbo...) Show SMILES CNC1(CCCC1)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c(C)c2C)ccc1F Show InChI InChI=1S/C25H32FN5O3/c1-16-17(2)22(32)29-28-21(16)15-18-6-7-20(26)19(14-18)23(33)30-10-12-31(13-11-30)24(34)25(27-3)8-4-5-9-25/h6-7,14,27H,4-5,8-13,15H2,1-3H3,(H,29,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1				Bioorg Med Chem Lett 20: 1100-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.087 BindingDB Entry DOI: 10.7270/Q2Z89CJ6
					More data for this Ligand-Target Pair