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BDBM17684 2-aminobenzimidazole, 9::N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(trifluoromethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide

SMILES: CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OC[C@H]5CCCN5C)c4)C(F)(F)F)[nH]c3c2)ccn1

InChI Key: InChIKey=CNFXCXPJZGOMBX-QGZVFWFLSA-N

Data: 1 KI

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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 = 17684   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM17684
PNG
(2-aminobenzimidazole, 9 | N-methyl-4-({2-[(3-{[(2R...)
Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OC[C@H]5CCCN5C)c4)C(F)(F)F)[nH]c3c2)ccn1
Show InChI InChI=1S/C27H27F3N6O3/c1-31-25(37)23-14-19(9-10-32-23)39-18-6-8-21-22(13-18)35-26(34-21)33-16-5-7-20(27(28,29)30)24(12-16)38-15-17-4-3-11-36(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,31,37)(H2,33,34,35)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2 -11.7n/an/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 50: 4351-4373 (2007)


Article DOI: 10.1021/jm070034i
BindingDB Entry DOI: 10.7270/Q21V5C74
More data for this
Ligand-Target Pair