BDBM214630 US9283222, 761

SMILES: CCN(CCNC(=O)C1CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F

InChI Key: InChIKey=QMNZVIMRMTZVMS-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 = 214630   

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))	BDBM214630 (US9283222, 761) Show SMILES CCN(CCNC(=O)C1CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C24H29FN4O3/c1-2-29(12-11-26-22(30)16-8-9-16)24(32)19-13-15(7-10-20(19)25)14-21-17-5-3-4-6-18(17)23(31)28-27-21/h7,10,13,16H,2-6,8-9,11-12,14H2,1H3,(H,26,30)(H,28,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	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