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SMILES: COC(=O)c1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1

InChI Key: InChIKey=IEDCXAGXDSYJCE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 418597   
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))		BDBM418597
PNG
(US10450297, Example 40 | methyl 4-({4-[({2- [methy...)
Show SMILES COC(=O)c1ccc(Nc2ncc(c(NCc3cccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N6O4S/c1-30(35(3,32)33)18-14(5-4-10-25-18)11-26-17-16(21(22,23)24)12-27-20(29-17)28-15-8-6-13(7-9-15)19(31)34-2/h4-10,12H,11H2,1-3H3,(H2,26,27,28,29)
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