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 = 'BDBM451987'   

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))	BDBM451987 (US10710986, Example 127 | US11555029, No. 127) Show SMILES COc1nc(cnc1C1=NCC(C)(C)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCC(C)(C)N2)c(OC)n1 |t:9,37| Show InChI InChI=1S/C32H32Cl2N8O2/c1-31(2)15-37-27(41-31)25-29(43-5)39-21(13-35-25)19-11-7-9-17(23(19)33)18-10-8-12-20(24(18)34)22-14-36-26(30(40-22)44-6)28-38-16-32(3,4)42-28/h7-14H,15-16H2,1-6H3,(H,37,41)(H,38,42)	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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