Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]' and Ligand = 'BDBM452431'   

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 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452431 (US10710986, Example 572 | US11555029, No. 572) Show SMILES CNS(=O)(=O)CCNCc1ncc(nc1OC)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C32H36Cl2N8O5S/c1-35-48(44,45)13-12-36-15-26-31(46-2)41-24(17-38-26)22-8-4-6-20(29(22)33)21-7-5-9-23(30(21)34)25-18-39-27(32(42-25)47-3)16-37-14-19-10-11-28(43)40-19/h4-9,17-19,35-37H,10-16H2,1-3H3,(H,40,43)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
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