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SMILES: CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4c3C(=O)N(C)C4(C)C)n2)cc1C

InChI Key: InChIKey=LCNAAQOCPPIRBP-BWKNWUBXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 134170   
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))
BDBM134170
PNG
(US8846689, 172)
Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4c3C(=O)N(C)C4(C)C)n2)cc1C |r|
Show InChI InChI=1S/C31H37ClN6O5/c1-17-13-22(24(41-6)14-18(17)27(39)34-21-11-12-37(4)16-25(21)42-7)35-30-33-15-20(32)28(36-30)43-23-10-8-9-19-26(23)29(40)38(5)31(19,2)3/h8-10,13-15,21,25H,11-12,16H2,1-7H3,(H,34,39)(H,33,35,36)/t21-,25+/m1/s1
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