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SMILES: COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCC(N)=O

InChI Key: InChIKey=FKVGEVWPIYZSRP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 365893   
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 1 ligand 1


(Homo sapiens (Human))		BDBM365893
PNG
(3-[({4-[(2-cyano-3- phenylphenyl)methoxy]-2,6- dim...)
Show SMILES COc1cc(OCc2cccc(-c3ccccc3)c2C#N)cc(OC)c1CNCCC(N)=O
Show InChI InChI=1S/C26H27N3O4/c1-31-24-13-20(14-25(32-2)23(24)16-29-12-11-26(28)30)33-17-19-9-6-10-21(22(19)15-27)18-7-4-3-5-8-18/h3-10,13-14,29H,11-12,16-17H2,1-2H3,(H2,28,30)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 53n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...

J Med Chem 51: 4-16 (2008)


BindingDB Entry DOI: 10.7270/Q2RN3B42
More data for this
Ligand-Target Pair