Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM436173'   

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)	BDBM436173 (US10590105, Example 2016) Show SMILES CCC(CO)(CO)NCc1cc(Cl)c(OCc2nccc(c2C)-c2cccc(OCCCN3CCCCC3)c2C)cc1OCc1cncc(c1)C#N Show InChI InChI=1S/C41H50ClN5O5/c1-4-41(27-48,28-49)46-24-33-19-36(42)40(20-39(33)51-25-32-18-31(21-43)22-44-23-32)52-26-37-29(2)35(12-13-45-37)34-10-8-11-38(30(34)3)50-17-9-16-47-14-6-5-7-15-47/h8,10-13,18-20,22-23,46,48-49H,4-7,9,14-17,24-28H2,1-3H3	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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