Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM436171'   

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)	BDBM436171 (US10590105, Example 2014) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)nccc1-c1cccc(OCCCN2CCCCC2)c1C |r| Show InChI InChI=1S/C42H48ClN5O5/c1-29-35(34-10-8-12-39(30(34)2)51-19-9-17-47-15-5-3-6-16-47)13-14-46-37(29)28-53-41-22-40(52-27-32-20-31(23-44)24-45-25-32)33(21-36(41)43)26-48-18-7-4-11-38(48)42(49)50/h8,10,12-14,20-22,24-25,38H,3-7,9,11,15-19,26-28H2,1-2H3,(H,49,50)/t38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	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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