Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482561'   

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)	BDBM482561 (US10919852, Compound TABLE 1.260 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCC(F)CC2)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/C45H47ClFN5O4/c1-29-36(5-3-8-41(29)54-18-4-15-52-16-13-34(47)14-17-52)37-6-2-7-39-38(37)10-11-42(39)56-44-23-43(55-28-32-20-30(24-48)19-31(21-32)25-49)33(22-40(44)46)26-50-35-9-12-45(53)51-27-35/h2-3,5-8,19-23,34-35,42,50H,4,9-18,26-28H2,1H3,(H,51,53)/t35-,42+/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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