Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM436161'   

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)	BDBM436161 (US10590105, Example 2004) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)cccc1-c1nccc(OCCCO)c1Cl Show InChI InChI=1S/C34H36Cl2N4O6/c1-22-25(5-3-6-27(22)33-32(36)29(7-8-39-33)44-10-4-9-41)19-46-31-13-30(45-18-24-11-23(14-37)15-38-16-24)26(12-28(31)35)17-40-34(2,20-42)21-43/h3,5-8,11-13,15-16,40-43H,4,9-10,17-21H2,1-2H3	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
Bristol-Meyers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US10590105 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SVD
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