Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482560'   

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)	BDBM482560 (US10919852, Compound TABLE 1.259 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CC3(CC(F)C3)C2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cc(cc(c2)C#N)C#N)c(CN[C@H]2CCC(=O)NC2)cc1Cl |r| Show InChI InChI=1S/C46H47ClFN5O4/c1-29-36(5-3-8-41(29)55-14-4-13-53-27-46(28-53)20-34(48)21-46)37-6-2-7-39-38(37)10-11-42(39)57-44-19-43(56-26-32-16-30(22-49)15-31(17-32)23-50)33(18-40(44)47)24-51-35-9-12-45(54)52-25-35/h2-3,5-8,15-19,34-35,42,51H,4,9-14,20-21,24-28H2,1H3,(H,52,54)/t35-,42-/m0/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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