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SMILES: Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2cnccc2c1

InChI Key: InChIKey=WKROVGSDEJBQCO-PGUFJCEWSA-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 = 436116   
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)		BDBM436116
PNG
(US10590105, Example 1009)
Show SMILES Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN[C@](C)(CO)C(O)=O)cc2Cl)cccc1-c1ccc2cnccc2c1 |r|
Show InChI InChI=1S/C35H31ClN4O5/c1-22-28(4-3-5-30(22)26-6-7-27-17-38-9-8-25(27)11-26)20-45-33-13-32(44-19-24-10-23(14-37)15-39-16-24)29(12-31(33)36)18-40-35(2,21-41)34(42)43/h3-13,15-17,40-41H,18-21H2,1-2H3,(H,42,43)/t35-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/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