Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50110832'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50110832 (CHEMBL3605982 | US10800739, Compound (16)) Show SMILES NC(=O)c1cccc2CN(CCN3CCCc4ccccc34)C(=O)c12 Show InChI InChI=1S/C20H21N3O2/c21-19(24)16-8-3-6-15-13-23(20(25)18(15)16)12-11-22-10-4-7-14-5-1-2-9-17(14)22/h1-3,5-6,8-9H,4,7,10-13H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50110832 (CHEMBL3605982 | US10800739, Compound (16)) Show SMILES NC(=O)c1cccc2CN(CCN3CCCc4ccccc34)C(=O)c12 Show InChI InChI=1S/C20H21N3O2/c21-19(24)16-8-3-6-15-13-23(20(25)18(15)16)12-11-22-10-4-7-14-5-1-2-9-17(14)22/h1-3,5-6,8-9H,4,7,10-13H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Preferably, for the screening method above cited, both the PARP protein and the 5H-phenanthridin-6-one-derived probe of formula (IP) are pre-mixed, o...				US Patent US10800739 (2020) BindingDB Entry DOI: 10.7270/Q2BP05VW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50110832 (CHEMBL3605982 | US10800739, Compound (16)) Show SMILES NC(=O)c1cccc2CN(CCN3CCCc4ccccc34)C(=O)c12 Show InChI InChI=1S/C20H21N3O2/c21-19(24)16-8-3-6-15-13-23(20(25)18(15)16)12-11-22-10-4-7-14-5-1-2-9-17(14)22/h1-3,5-6,8-9H,4,7,10-13H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Preferably, for the screening method above cited, both the PARP protein and the 5H-phenanthridin-6-one-derived probe of formula (IP) are pre-mixed, o...				US Patent US10800739 (2020) BindingDB Entry DOI: 10.7270/Q2BP05VW
					More data for this Ligand-Target Pair