Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482711'   

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)	BDBM482711 (US10919852, Compound TABLE 1.410 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCC(F)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNCCS(O)(=O)=O)cc1Cl |r| Show InChI InChI=1S/C40H44ClFN4O6S/c1-27-32(5-3-8-37(27)50-17-4-14-46-15-11-31(42)12-16-46)33-6-2-7-35-34(33)9-10-38(35)52-40-21-39(51-26-29-19-28(22-43)23-45-24-29)30(20-36(40)41)25-44-13-18-53(47,48)49/h2-3,5-8,19-21,23-24,31,38,44H,4,9-18,25-26H2,1H3,(H,47,48,49)/t38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG 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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