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SMILES: COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1)C(F)(F)F

InChI Key: InChIKey=XQNLVDIOICMCNT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 134116   
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))
BDBM134116
PNG
(US8846689, 118)
Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C30H32F4N6O4/c1-29(2)18-7-6-8-22(24(18)27(42)40(29)4)44-26-19(30(32,33)34)15-35-28(38-26)37-21-14-20(31)17(13-23(21)43-5)25(41)36-16-9-11-39(3)12-10-16/h6-8,13-16H,9-12H2,1-5H3,(H,36,41)(H,35,37,38)
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