Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM436133'   

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)	BDBM436133 (US10590105, Example 1021) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2scnc2c1 |r| Show InChI InChI=1S/C33H29ClN4O5S/c1-20-24(4-3-5-26(20)23-6-7-31-28(10-23)37-19-44-31)17-43-30-11-29(42-16-22-8-21(12-35)13-36-14-22)25(9-27(30)34)15-38-33(2,18-39)32(40)41/h3-11,13-14,19,38-39H,15-18H2,1-2H3,(H,40,41)/t33-/m1/s1	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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