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SMILES: COCCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(c(Oc3cccc4CN(C)C(=O)c34)n2)C(F)(F)F)c(OC)c1

InChI Key: InChIKey=WXJDTTGYNLEOLX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 134189   
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


(Homo sapiens (Human))
BDBM134189
PNG
(US8846689, 191)
Show SMILES COCCN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(c(Oc3cccc4CN(C)C(=O)c34)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C30H33F3N6O5/c1-38-17-19-5-4-6-23(25(19)28(38)41)44-27-21(30(31,32)33)16-34-29(37-27)36-22-8-7-18(15-24(22)43-3)26(40)35-20-9-11-39(12-10-20)13-14-42-2/h4-8,15-16,20H,9-14,17H2,1-3H3,(H,35,40)(H,34,36,37)
PDB
MMDB

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Similars

US Patent
n/an/a 1n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...


US Patent US8846689 (2014)


BindingDB Entry DOI: 10.7270/Q2BC3X7Z
More data for this
Ligand-Target Pair