Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM419802'   

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))	BDBM419802 (US10464919, Example 140 | US10464919, Example 186) Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3ccc(s3)C#N)ccc2c2NCCCc12 Show InChI InChI=1S/C22H23N5OS/c23-13-16-4-6-20(29-16)27-10-8-26(9-11-27)14-15-3-5-17-19(12-15)25-22(28)18-2-1-7-24-21(17)18/h3-6,12,24H,1-2,7-11,14H2,(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.05	n/a	n/a	n/a	n/a	n/a	n/a
Je Il Pharmaceutical Co., Ltd. US Patent					Assay Description The PARP-1 enzyme inhibitory activities of the compounds of the present invention were assayed in the following manner by use of a kit (cat. 80551) p...				US Patent US10464919 (2019) BindingDB Entry DOI: 10.7270/Q2736T8M
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM419802 (US10464919, Example 140 | US10464919, Example 186) Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3ccc(s3)C#N)ccc2c2NCCCc12 Show InChI InChI=1S/C22H23N5OS/c23-13-16-4-6-20(29-16)27-10-8-26(9-11-27)14-15-3-5-17-19(12-15)25-22(28)18-2-1-7-24-21(17)18/h3-6,12,24H,1-2,7-11,14H2,(H,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
Je Il Pharmaceutical Co., Ltd. US Patent					Assay Description The PARP-1 enzyme inhibitory activities of the compounds of the present invention were assayed in the following manner by use of a kit (cat. 80551) p...				US Patent US10464919 (2019) BindingDB Entry DOI: 10.7270/Q2736T8M
					More data for this Ligand-Target Pair