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SMILES: CN(c1cccc(CNc2nc(Nc3ccc(cc3)C(N)=O)ncc2C(F)(F)F)c1)S(C)(=O)=O

InChI Key: InChIKey=LJCRXBCIHWKHHG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 418652   
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
Focal adhesion kinase 1 [410-689]


(Homo sapiens (Human))		BDBM418652
PNG
(4-{[4-({3- [methyl(methylsulfonyl)amino]benzyl} am...)
Show SMILES CN(c1cccc(CNc2nc(Nc3ccc(cc3)C(N)=O)ncc2C(F)(F)F)c1)S(C)(=O)=O
Show InChI InChI=1S/C21H21F3N6O3S/c1-30(34(2,32)33)16-5-3-4-13(10-16)11-26-19-17(21(22,23)24)12-27-20(29-19)28-15-8-6-14(7-9-15)18(25)31/h3-10,12H,11H2,1-2H3,(H2,25,31)(H2,26,27,28,29)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.380n/an/an/an/an/an/a



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the followi...

J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q2T72KQP
More data for this
Ligand-Target Pair