BDBM477031 US10882844, Example 2009

SMILES: CN1CCN(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)c1C

InChI Key: InChIKey=XLQNLUVSDVJPJN-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 = 477031   

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-Homo sapiens (Human))	BDBM477031 (US10882844, Example 2009) Show SMILES CN1CCN(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CNC(C)(CO)CO)cc2Cl)c1C Show InChI InChI=1S/C38H41ClN6O5/c1-25-29(5-4-6-31(25)28-7-8-34-33(15-28)43-37(50-34)45-11-9-44(3)10-12-45)22-49-36-16-35(48-21-27-13-26(17-40)18-41-19-27)30(14-32(36)39)20-42-38(2,23-46)24-47/h4-8,13-16,18-19,42,46-47H,9-12,20-24H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and...				US Patent US10882844 (2021)
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