Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482514'   

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
Programmed cell death protein 1 (Homo sapiens)	BDBM482514 (US10919852, Compound TABLE 1.213 | US11708326, Com...) Show SMILES O[C@H]1CCC[C@H]1NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC4(CC(F)C4)C3)c2Cl)cc1OCc1cncc(c1)C#N |r| Show InChI InChI=1S/C43H45Cl2FN4O4/c44-35-16-29(23-49-36-8-3-9-37(36)51)40(53-24-28-15-27(20-47)21-48-22-28)17-41(35)54-38-12-11-32-31(5-1-6-33(32)38)34-7-2-10-39(42(34)45)52-14-4-13-50-25-43(26-50)18-30(46)19-43/h1-2,5-7,10,15-17,21-22,30,36-38,49,51H,3-4,8-9,11-14,18-19,23-26H2/t36-,37+,38+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
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