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SMILES: Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)nccc1-c1cccc(OCCCN2CCCCC2)c1C

InChI Key: InChIKey=GJSDHVCPKIREFK-FAIXQHPJSA-N

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 = 436172   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Programmed cell death protein 1


(Homo sapiens)		BDBM436172
PNG
(US10590105, Example 2015)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@@](C)(CO)C(O)=O)cc2Cl)nccc1-c1cccc(OCCCN2CCCCC2)c1C |r|
Show InChI InChI=1S/C40H46ClN5O6/c1-27-33(32-9-7-10-36(28(32)2)50-16-8-15-46-13-5-4-6-14-46)11-12-44-35(27)25-52-38-19-37(51-24-30-17-29(20-42)21-43-22-30)31(18-34(38)41)23-45-40(3,26-47)39(48)49/h7,9-12,17-19,21-22,45,47H,4-6,8,13-16,23-26H2,1-3H3,(H,48,49)/t40-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bristol-Meyers 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 US10590105 (2020)


BindingDB Entry DOI: 10.7270/Q2ST7SVD
More data for this
Ligand-Target Pair