BDBM50306261 1-((2S)-1-(1-hydroxyethyl)pyrrolidine-2-carbonyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one::CHEMBL593133

SMILES: CC(=O)N1CCC[C@H]1C(=O)N1CCc2cccc3C(=O)NCC1c23

InChI Key: InChIKey=HKPNOYFEQNVNLD-MLCCFXAWSA-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 = 50306261   

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))	BDBM50306261 (1-((2S)-1-(1-hydroxyethyl)pyrrolidine-2-carbonyl)-...) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N1CCc2cccc3C(=O)NCC1c23 |r| Show InChI InChI=1S/C18H21N3O3/c1-11(22)20-8-3-6-14(20)18(24)21-9-7-12-4-2-5-13-16(12)15(21)10-19-17(13)23/h2,4-5,14-15H,3,6-10H2,1H3,(H,19,23)/t14-,15?/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50306261 (1-((2S)-1-(1-hydroxyethyl)pyrrolidine-2-carbonyl)-...) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N1CCc2cccc3C(=O)NCC1c23 |r| Show InChI InChI=1S/C18H21N3O3/c1-11(22)20-8-3-6-14(20)18(24)21-9-7-12-4-2-5-13-16(12)15(21)10-19-17(13)23/h2,4-5,14-15H,3,6-10H2,1H3,(H,19,23)/t14-,15?/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	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