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SMILES: COc1nc(ccc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1

InChI Key: InChIKey=BZISQFQHCPXOLT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452501   

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. 642 (US10710986, Example 642) Show SMILES COc1nc(ccc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 |t:37| Show InChI InChI=1S/C31H30Cl2N6O3/c1-31(40)16-39(17-31)15-18-10-11-23(37-29(18)41-2)21-8-4-6-19(25(21)32)20-7-5-9-22(26(20)33)24-14-36-27(30(38-24)42-3)28-34-12-13-35-28/h4-11,14,40H,12-13,15-17H2,1-3H3,(H,34,35)	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))	BDBM452501 (US10710986, Example 642) Show SMILES COc1nc(ccc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(C2=NCCN2)c(OC)n1 |t:37| Show InChI InChI=1S/C31H30Cl2N6O3/c1-31(40)16-39(17-31)15-18-10-11-23(37-29(18)41-2)21-8-4-6-19(25(21)32)20-7-5-9-22(26(20)33)24-14-36-27(30(38-24)42-3)28-34-12-13-35-28/h4-11,14,40H,12-13,15-17H2,1-3H3,(H,34,35)	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