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BDBM26843 N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide::acylated 2-aminobenzimidazole, 37

SMILES: CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1

InChI Key: InChIKey=RSJYLNUFSUIOQE-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26843   
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))
BDBM26843
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C26H22N6O4S/c1-31(25(35)16-5-3-2-4-6-16)17-7-8-19-18(13-17)29-26(32(19)12-11-23(27)33)30-24(34)22-10-9-21(37-22)20-14-28-15-36-20/h2-10,13-15H,11-12H2,1H3,(H2,27,33)(H,29,30,34)
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Article
PubMed
n/an/a 5.20E+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 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26843
PNG
(N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoyleth...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C26H22N6O4S/c1-31(25(35)16-5-3-2-4-6-16)17-7-8-19-18(13-17)29-26(32(19)12-11-23(27)33)30-24(34)22-10-9-21(37-22)20-14-28-15-36-20/h2-10,13-15H,11-12H2,1H3,(H2,27,33)(H,29,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/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 19: 773-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.028
BindingDB Entry DOI: 10.7270/Q2736P62
More data for this
Ligand-Target Pair