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 = 'BDBM451994'   

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))	BDBM451994 (US10710986, Example 134 | US11555029, No. 134) Show SMILES COc1nc(cnc1C1=NC[C@@H](CO)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NC[C@@H](CO)N2)c(OC)n1 |r,t:9,37| Show InChI InChI=1S/C30H28Cl2N8O4/c1-43-29-25(27-35-9-15(13-41)37-27)33-11-21(39-29)19-7-3-5-17(23(19)31)18-6-4-8-20(24(18)32)22-12-34-26(30(40-22)44-2)28-36-10-16(14-42)38-28/h3-8,11-12,15-16,41-42H,9-10,13-14H2,1-2H3,(H,35,37)(H,36,38)/t15-,16-/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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