BDBM214487 US9283222, 594

SMILES: CCS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F

InChI Key: InChIKey=YPXKZBLIHODTGQ-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 = 214487   

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))	BDBM214487 (US9283222, 594) Show SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C21H26FN5O4S/c1-2-32(30,31)27-10-8-26(9-11-27)21(29)16-12-14(5-6-17(16)22)13-18-19-15(4-3-7-23-19)20(28)25-24-18/h5-6,12,23H,2-4,7-11,13H2,1H3,(H,25,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair