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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Insulin receptor' and Ligand = 'BDBM26820'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin receptor


(Homo sapiens (Human))
BDBM26820
PNG
(BMCL186218 Compound 1 | CHEMBL457886 | N-[(2E)-5-[...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C23H21N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h2-10,13-14H,11-12H2,1H3,(H2,24,29)(H,25,26,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM26820
PNG
(BMCL186218 Compound 1 | CHEMBL457886 | N-[(2E)-5-[...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C23H21N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h2-10,13-14H,11-12H2,1H3,(H2,24,29)(H,25,26,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 145n/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
Insulin receptor


(Homo sapiens (Human))
BDBM26820
PNG
(BMCL186218 Compound 1 | CHEMBL457886 | N-[(2E)-5-[...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C23H21N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h2-10,13-14H,11-12H2,1H3,(H2,24,29)(H,25,26,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 150n/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