BDBM50387919 CHEMBL2058677::US9283222, 414

SMILES: Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1

InChI Key: InChIKey=AUYBTOGLGOBKNJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50387919   

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))	BDBM50387919 (CHEMBL2058677 | US9283222, 414) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1 Show InChI InChI=1S/C14H14FN3O/c15-10-5-3-9(4-6-10)8-12-13-11(2-1-7-16-13)14(19)18-17-12/h3-6,16H,1-2,7-8H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387919 (CHEMBL2058677 | US9283222, 414) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1 Show InChI InChI=1S/C14H14FN3O/c15-10-5-3-9(4-6-10)8-12-13-11(2-1-7-16-13)14(19)18-17-12/h3-6,16H,1-2,7-8H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	119	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