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SMILES: COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(C)(C)O)c(OC)n1

InChI Key: InChIKey=YULSUWWXVJGIKN-VXKWHMMOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452364   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	US11555029, No. 502 (US10710986, Example 502) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(C)(C)O)c(OC)n1 |r| Show InChI InChI=1S/C36H41Cl2N7O4/c1-36(2,47)21-13-14-45(19-21)20-30-35(49-4)44-28(18-41-30)26-10-6-8-24(33(26)38)23-7-5-9-25(32(23)37)27-17-40-29(34(43-27)48-3)16-39-15-22-11-12-31(46)42-22/h5-10,17-18,21-22,39,47H,11-16,19-20H2,1-4H3,(H,42,46)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452364 (US10710986, Example 502) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC[C@@H](C2)C(C)(C)O)c(OC)n1 |r| Show InChI InChI=1S/C36H41Cl2N7O4/c1-36(2,47)21-13-14-45(19-21)20-30-35(49-4)44-28(18-41-30)26-10-6-8-24(33(26)38)23-7-5-9-25(32(23)37)27-17-40-29(34(43-27)48-3)16-39-15-22-11-12-31(46)42-22/h5-10,17-18,21-22,39,47H,11-16,19-20H2,1-4H3,(H,42,46)/t21-,22-/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
					More data for this Ligand-Target Pair