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 = 'BDBM474566'   

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))	BDBM474566 ((S)-1-(2-(4-carboxycyclohexyl)benzo[d]oxazol-5-yl)...) Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)C1CCC(CC1)C(O)=O |r,wD:25.27,(.65,-2.06,;.65,-3.6,;1.98,-4.37,;3.32,-3.6,;4.65,-4.37,;5.98,-3.6,;5.98,-2.06,;7.32,-1.29,;7.32,.25,;5.98,1.02,;5.98,2.56,;4.65,3.33,;4.65,4.87,;5.98,5.64,;7.37,4.89,;7.32,3.33,;8.7,5.66,;10.03,6.43,;8.65,-2.06,;9.98,-1.29,;11.32,-2.06,;11.32,-3.6,;12.65,-4.37,;13.99,-3.6,;13.99,-2.06,;12.65,-1.29,;12.65,.25,;11.32,1.02,;13.99,1.02,;8.65,-3.6,;7.32,-4.37,;7.32,-5.91,;1.98,-5.91,;.65,-6.68,;-.68,-5.91,;-.68,-4.37,;-2.02,-3.6,;-2.02,-2.06,;-3.35,-1.29,;-4.69,-2.06,;-6.15,-1.59,;-7.06,-2.83,;-6.15,-4.08,;-4.69,-3.6,;-3.35,-4.37,;-8.6,-2.83,;-9.37,-1.5,;-10.91,-1.5,;-11.68,-2.83,;-10.91,-4.17,;-9.37,-4.17,;-13.22,-2.83,;-13.99,-1.5,;-13.99,-4.17,)| Show InChI InChI=1S/C42H41ClN4O7/c1-25-31(5-4-6-33(25)30-12-13-37-35(17-30)46-40(54-37)28-8-10-29(11-9-28)41(48)49)24-53-39-18-38(52-23-27-15-26(19-44)20-45-21-27)32(16-34(39)43)22-47-14-3-2-7-36(47)42(50)51/h4-6,12-13,15-18,20-21,28-29,36H,2-3,7-11,14,22-24H2,1H3,(H,48,49)(H,50,51)/t28?,29?,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers 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 US10882844 (2021) BindingDB Entry DOI: 10.7270/Q26113F8
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