Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482550'   

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)	BDBM482550 (US10919852, Compound TABLE 1.249 | US11708326, Com...) Show SMILES CC1CCN(CCCOc2cccc(c2C)-c2cccc3[C@H](CCc23)Oc2cc(OCc3cc(cc(c3)C#N)C#N)c(CNC[C@@H]3CCC(=O)N3)cc2Cl)CC1 |r| Show InChI InChI=1S/C46H50ClN5O4/c1-30-14-17-52(18-15-30)16-5-19-54-42-9-4-6-37(31(42)2)38-7-3-8-40-39(38)11-12-43(40)56-45-24-44(55-29-34-21-32(25-48)20-33(22-34)26-49)35(23-41(45)47)27-50-28-36-10-13-46(53)51-36/h3-4,6-9,20-24,30,36,43,50H,5,10-19,27-29H2,1-2H3,(H,51,53)/t36-,43-/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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