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BDBM26870 2-aminobenzimidazole with trans-stilbene, 8l::N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]thiophene-2-carboxamide

SMILES: CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4cccc(c4)C(F)(F)F)s3)nc2c1

InChI Key: InChIKey=NXQLBKKBIAWXOK-ZRDIBKRKSA-N

Data: 2 IC50

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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 2 hits for monomerid = 26870   
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
Insulin receptor


(Homo sapiens (Human))
BDBM26870
PNG
(2-aminobenzimidazole with trans-stilbene, 8l | N-[...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4cccc(c4)C(F)(F)F)s3)nc2c1
Show InChI InChI=1S/C32H26F3N5O3S/c1-39(30(43)21-7-3-2-4-8-21)23-11-14-26-25(19-23)37-31(40(26)17-16-28(36)41)38-29(42)27-15-13-24(44-27)12-10-20-6-5-9-22(18-20)32(33,34)35/h2-15,18-19H,16-17H2,1H3,(H2,36,41)(H,37,38,42)/b12-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 18: 6218-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.098
BindingDB Entry DOI: 10.7270/Q23B5XFW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26870
PNG
(2-aminobenzimidazole with trans-stilbene, 8l | N-[...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4cccc(c4)C(F)(F)F)s3)nc2c1
Show InChI InChI=1S/C32H26F3N5O3S/c1-39(30(43)21-7-3-2-4-8-21)23-11-14-26-25(19-23)37-31(40(26)17-16-28(36)41)38-29(42)27-15-13-24(44-27)12-10-20-6-5-9-22(18-20)32(33,34)35/h2-15,18-19H,16-17H2,1H3,(H2,36,41)(H,37,38,42)/b12-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/a7.022



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...


Bioorg Med Chem Lett 18: 6218-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.098
BindingDB Entry DOI: 10.7270/Q23B5XFW
More data for this
Ligand-Target Pair