BDBM452516 US10710986, Example 657

SMILES: COc1nc(cnc1CN1CC(C1)OCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)OCC(N)=O)c(OC)n1

InChI Key: InChIKey=NFPIHAIEDFSWNN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 452516   

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
PD-1/PD-L1 (Homo sapiens (Human))	BDBM452516 (US10710986, Example 657) Show SMILES COc1nc(cnc1CN1CC(C1)OCC(N)=O)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C2)OCC(N)=O)c(OC)n1 Show InChI InChI=1S/C34H36Cl2N8O6/c1-47-33-27(15-43-11-19(12-43)49-17-29(37)45)39-9-25(41-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-10-40-28(34(42-26)48-2)16-44-13-20(14-44)50-18-30(38)46/h3-10,19-20H,11-18H2,1-2H3,(H2,37,45)(H2,38,46)	PDB MMDB NCI pathway Reactome pathway KEGG 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)
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