Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death 1 ligand/protein 1' and Ligand = 'BDBM50542930'   

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 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50542930 (CHEMBL4648618) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H33ClN2O6/c1-22-26(8-5-9-28(22)25-10-11-30-33(16-25)42-13-12-41-30)21-44-32-17-31(43-20-24-7-4-6-23(14-24)18-37)27(15-29(32)36)19-38-35(2,3)34(39)40/h4-11,14-17,38H,12-13,19-21H2,1-3H3,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020) Article DOI: 10.1021/acs.jmedchem.0c00574 BindingDB Entry DOI: 10.7270/Q2JS9V1Q
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