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 = 'BDBM452017'   

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))	BDBM452017 (US10710986, Example 157 | US11555029, No. 157) Show SMILES COc1nc(ccc1CN1CC(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r| Show InChI InChI=1S/C34H36Cl2N6O4/c1-45-33-21(18-42-16-20(17-42)19-43)9-11-27(40-33)25-7-3-5-23(31(25)35)24-6-4-8-26(32(24)36)28-15-38-29(34(41-28)46-2)14-37-13-22-10-12-30(44)39-22/h3-9,11,15,20,22,37,43H,10,12-14,16-19H2,1-2H3,(H,39,44)/t22-/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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