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SMILES: COc1cc(ccc1Nc1ncc(C#N)c(Oc2cccc3CCC(=O)c23)n1)N1CCN(C)CC1

InChI Key: InChIKey=REMDDTMAMFPYCS-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 134110   
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))		BDBM134110
PNG
(US8846689, 112)
Show SMILES COc1cc(ccc1Nc1ncc(C#N)c(Oc2cccc3CCC(=O)c23)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N6O3/c1-31-10-12-32(13-11-31)19-7-8-20(23(14-19)34-2)29-26-28-16-18(15-27)25(30-26)35-22-5-3-4-17-6-9-21(33)24(17)22/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,28,29,30)
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