BDBM50387926 CHEMBL2058689

SMILES: NC(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F

InChI Key: InChIKey=NIMOKLXVCDUKRK-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50387926   

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))	BDBM50387926 (CHEMBL2058689) Show SMILES NC(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C15H15FN4O2/c16-11-4-3-8(6-10(11)14(17)21)7-12-13-9(2-1-5-18-13)15(22)20-19-12/h3-4,6,18H,1-2,5,7H2,(H2,17,21)(H,20,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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))	BDBM50387926 (CHEMBL2058689) Show SMILES NC(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C15H15FN4O2/c16-11-4-3-8(6-10(11)14(17)21)7-12-13-9(2-1-5-18-13)15(22)20-19-12/h3-4,6,18H,1-2,5,7H2,(H2,17,21)(H,20,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	122	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain...				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