BDBM474543 US10882844, Example 1008

SMILES: CN1CCC(C1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C

InChI Key: InChIKey=NNYHBMWJWIMLLK-KEPYVBBOSA-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 = 474543   

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))	BDBM474543 (US10882844, Example 1008) Show SMILES CN1CCC(C1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C |r,w:4.6| Show InChI InChI=1S/C40H40ClN5O5/c1-25-30(6-5-7-32(25)28-9-10-36-34(16-28)44-39(51-36)29-11-13-45(2)21-29)24-50-38-17-37(49-23-27-14-26(18-42)19-43-20-27)31(15-33(38)41)22-46-12-4-3-8-35(46)40(47)48/h5-7,9-10,14-17,19-20,29,35H,3-4,8,11-13,21-24H2,1-2H3,(H,47,48)/t29?,35-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	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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