Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482357'   

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)	BDBM482357 (US10919852, Compound TABLE 1.56 | US11708326, Comp...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC[C@@H](O)C3)c2C)c(Cl)cc1CNC(CO)CO |r| Show InChI InChI=1S/C35H45ClN2O6/c1-3-42-34-18-35(31(36)17-24(34)19-37-25(21-39)22-40)44-33-12-11-29-28(8-4-9-30(29)33)27-7-5-10-32(23(27)2)43-16-6-14-38-15-13-26(41)20-38/h4-5,7-10,17-18,25-26,33,37,39-41H,3,6,11-16,19-22H2,1-2H3/t26-,33+/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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