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SMILES: CN(c1cccc(C)c1CNc1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F)S(C)(=O)=O

InChI Key: InChIKey=ZQPAZBFGWZVTLV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 418659   
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))		BDBM418659
PNG
(4-{[4-({2-methyl-6- [methyl(methylsulfonyl)amino]b...)
Show SMILES CN(c1cccc(C)c1CNc1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H23F3N6O3S/c1-13-5-4-6-18(31(2)35(3,33)34)16(13)11-27-20-17(22(23,24)25)12-28-21(30-20)29-15-9-7-14(8-10-15)19(26)32/h4-10,12H,11H2,1-3H3,(H2,26,32)(H2,27,28,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.590n/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