BDBM50306258 1-(3-(1-methyl-1H-pyrazol-4-yl)propanoyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one::CHEMBL593202

SMILES: Cn1cc(CCC(=O)N2CCc3cccc4C(=O)NCC2c34)cn1

InChI Key: InChIKey=SBMIMFRSDNEULS-UHFFFAOYSA-N

Data: 1 IC50  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 = 50306258   

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))	BDBM50306258 (1-(3-(1-methyl-1H-pyrazol-4-yl)propanoyl)-2,3,9,9a...) Show SMILES Cn1cc(CCC(=O)N2CCc3cccc4C(=O)NCC2c34)cn1 Show InChI InChI=1S/C18H20N4O2/c1-21-11-12(9-20-21)5-6-16(23)22-8-7-13-3-2-4-14-17(13)15(22)10-19-18(14)24/h2-4,9,11,15H,5-8,10H2,1H3,(H,19,24)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 by scintillation proximity assay				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50306258 (1-(3-(1-methyl-1H-pyrazol-4-yl)propanoyl)-2,3,9,9a...) Show SMILES Cn1cc(CCC(=O)N2CCc3cccc4C(=O)NCC2c34)cn1 Show InChI InChI=1S/C18H20N4O2/c1-21-11-12(9-20-21)5-6-16(23)22-8-7-13-3-2-4-14-17(13)15(22)10-19-18(14)24/h2-4,9,11,15H,5-8,10H2,1H3,(H,19,24)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as inhibition of hydrogen peroxide-induced poly(ADP-ribosyl)ation				Bioorg Med Chem Lett 20: 448-52 (2010) Article DOI: 10.1016/j.bmcl.2009.12.002 BindingDB Entry DOI: 10.7270/Q2GT5N91
					More data for this Ligand-Target Pair