BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 278 hits with Last Name = 'kahl' and Initial = 'j'   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50544647
PNG
(CHEMBL4634122)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C24H26NO5P/c1-19(2)23(25-24(26)28-18-20-12-6-3-7-13-20)31(27,29-21-14-8-4-9-15-21)30-22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
 2.96E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using flurogenic substrate as elastase substrate V by fluorescence assay

ACS Med Chem Lett 11: 1739-1744 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00284
BindingDB Entry DOI: 10.7270/Q29P357N
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))		BDBM50544646
PNG
(CHEMBL4635621)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26NO4P/c1-19(2)23(25-24(26)28-18-20-12-6-3-7-13-20)30(27,22-16-10-5-11-17-22)29-21-14-8-4-9-15-21/h3-17,19,23H,18H2,1-2H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.65E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human proteinase 3 using flurogenic substrate as elastase substrate V by fluorescence assay

ACS Med Chem Lett 11: 1739-1744 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00284
BindingDB Entry DOI: 10.7270/Q29P357N
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50544646
PNG
(CHEMBL4635621)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26NO4P/c1-19(2)23(25-24(26)28-18-20-12-6-3-7-13-20)30(27,22-16-10-5-11-17-22)29-21-14-8-4-9-15-21/h3-17,19,23H,18H2,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5.10E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using flurogenic substrate as elastase substrate V by fluorescence assay

ACS Med Chem Lett 11: 1739-1744 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00284
BindingDB Entry DOI: 10.7270/Q29P357N
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))		BDBM50544648
PNG
(CHEMBL4636971)
Show SMILES CCCP(=O)(Oc1ccccc1)C(NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C21H28NO4P/c1-4-15-27(24,26-19-13-9-6-10-14-19)20(17(2)3)22-21(23)25-16-18-11-7-5-8-12-18/h5-14,17,20H,4,15-16H2,1-3H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.38E+4n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of human proteinase 3 using flurogenic substrate as elastase substrate V by fluorescence assay

ACS Med Chem Lett 11: 1739-1744 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00284
BindingDB Entry DOI: 10.7270/Q29P357N
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437357
PNG
(CHEMBL3037909)
Show SMILES CCOc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.21,16.17,wD:18.20,(12.1,-.5,;13.44,-1.27,;13.44,-2.81,;14.77,-3.58,;16.1,-2.81,;17.44,-3.57,;17.45,-5.13,;16.11,-5.9,;16.11,-7.43,;14.79,-8.21,;13.44,-7.44,;13.44,-5.9,;14.77,-5.13,;14.8,-9.75,;16.05,-10.65,;15.58,-12.12,;16.49,-13.36,;18.01,-13.59,;17.77,-15.11,;19.26,-15.51,;18.17,-16.6,;16.26,-14.88,;14.04,-12.13,;13.02,-13.27,;11.51,-12.95,;11.04,-11.49,;12.07,-10.35,;11.59,-8.88,;13.56,-10.67,;18.77,-2.8,;20.11,-3.57,;21.44,-2.8,;21.43,-1.25,;20.09,-.49,;18.76,-1.27,)|
Show InChI InChI=1S/C28H27N5O2/c1-3-35-23-14-21(17-7-5-4-6-8-17)31-22-13-18(9-10-20(22)23)24-25-26(29)30-11-12-33(25)27(32-24)19-15-28(2,34)16-19/h4-14,19,34H,3,15-16H2,1-2H3,(H2,29,30)/t19-,28+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437358
PNG
(CHEMBL3037908)
Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.20,15.16,wD:17.19,(2.3,-.85,;2.3,-2.39,;3.63,-3.16,;4.96,-2.39,;6.3,-3.15,;6.31,-4.71,;4.97,-5.48,;4.97,-7.01,;3.65,-7.79,;2.3,-7.02,;2.3,-5.48,;3.63,-4.71,;3.66,-9.33,;4.91,-10.23,;4.44,-11.7,;5.35,-12.94,;6.87,-13.17,;6.63,-14.69,;8.12,-15.09,;7.03,-16.18,;5.12,-14.46,;2.9,-11.71,;1.88,-12.85,;.37,-12.53,;-.11,-11.07,;.93,-9.93,;.45,-8.46,;2.42,-10.25,;7.63,-2.38,;8.97,-3.15,;10.3,-2.38,;10.29,-.83,;8.94,-.07,;7.62,-.85,)|
Show InChI InChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29)/t18-,27+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50323659
PNG
(CHEMBL1208890 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncn3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C28H29N5O5S/c1-28(2,3)17-14-22(26(38-4)23(15-17)33-39(5,36)37)32-27(35)25(34)20-10-11-21(19-9-7-6-8-18(19)20)31-24-12-13-29-16-30-24/h6-16,33H,1-5H3,(H,32,35)(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA

Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50323660
PNG
(CHEMBL1208891 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C29H30N4O5S/c1-29(2,3)18-16-24(27(38-4)25(17-18)33-39(5,36)37)32-28(35)26(34)22-10-11-23(21-9-7-6-8-20(21)22)31-19-12-14-30-15-13-19/h6-17,33H,1-5H3,(H,30,31)(H,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA

Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50377234
PNG
(CHEMBL402902)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23|
Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta

Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437358
PNG
(CHEMBL3037908)
Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.20,15.16,wD:17.19,(2.3,-.85,;2.3,-2.39,;3.63,-3.16,;4.96,-2.39,;6.3,-3.15,;6.31,-4.71,;4.97,-5.48,;4.97,-7.01,;3.65,-7.79,;2.3,-7.02,;2.3,-5.48,;3.63,-4.71,;3.66,-9.33,;4.91,-10.23,;4.44,-11.7,;5.35,-12.94,;6.87,-13.17,;6.63,-14.69,;8.12,-15.09,;7.03,-16.18,;5.12,-14.46,;2.9,-11.71,;1.88,-12.85,;.37,-12.53,;-.11,-11.07,;.93,-9.93,;.45,-8.46,;2.42,-10.25,;7.63,-2.38,;8.97,-3.15,;10.3,-2.38,;10.29,-.83,;8.94,-.07,;7.62,-.85,)|
Show InChI InChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29)/t18-,27+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437357
PNG
(CHEMBL3037909)
Show SMILES CCOc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.21,16.17,wD:18.20,(12.1,-.5,;13.44,-1.27,;13.44,-2.81,;14.77,-3.58,;16.1,-2.81,;17.44,-3.57,;17.45,-5.13,;16.11,-5.9,;16.11,-7.43,;14.79,-8.21,;13.44,-7.44,;13.44,-5.9,;14.77,-5.13,;14.8,-9.75,;16.05,-10.65,;15.58,-12.12,;16.49,-13.36,;18.01,-13.59,;17.77,-15.11,;19.26,-15.51,;18.17,-16.6,;16.26,-14.88,;14.04,-12.13,;13.02,-13.27,;11.51,-12.95,;11.04,-11.49,;12.07,-10.35,;11.59,-8.88,;13.56,-10.67,;18.77,-2.8,;20.11,-3.57,;21.44,-2.8,;21.43,-1.25,;20.09,-.49,;18.76,-1.27,)|
Show InChI InChI=1S/C28H27N5O2/c1-3-35-23-14-21(17-7-5-4-6-8-17)31-22-13-18(9-10-20(22)23)24-25-26(29)30-11-12-33(25)27(32-24)19-15-28(2,34)16-19/h4-14,19,34H,3,15-16H2,1-2H3,(H2,29,30)/t19-,28+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437370
PNG
(CHEMBL3037912)
Show SMILES COc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.21,16.17,wD:18.20,(47.77,-1.38,;47.77,-2.92,;49.1,-3.69,;50.43,-2.92,;51.77,-3.68,;51.78,-5.24,;50.44,-6.01,;50.44,-7.54,;51.78,-8.31,;49.12,-8.32,;47.77,-7.55,;47.77,-6.01,;49.1,-5.24,;49.13,-9.86,;50.38,-10.76,;49.91,-12.23,;50.82,-13.47,;52.34,-13.7,;52.1,-15.22,;53.59,-15.62,;52.5,-16.71,;50.59,-14.99,;48.37,-12.24,;47.35,-13.38,;45.84,-13.06,;45.37,-11.6,;46.4,-10.46,;45.92,-8.99,;47.89,-10.77,;53.1,-2.91,;54.44,-3.68,;55.77,-2.9,;55.76,-1.36,;54.41,-.6,;53.09,-1.37,)|
Show InChI InChI=1S/C27H24FN5O2/c1-27(34)13-16(14-27)26-32-23(24-25(29)30-10-11-33(24)26)18-9-8-17-20(35-2)12-19(31-22(17)21(18)28)15-6-4-3-5-7-15/h3-12,16,34H,13-14H2,1-2H3,(H2,29,30)/t16-,27+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM50377234
PNG
(CHEMBL402902)
Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23|
Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha

Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437369
PNG
(CHEMBL3037913)
Show SMILES CCOc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:19.22,17.18,wD:19.21,(23.32,-.37,;24.65,-1.14,;24.65,-2.69,;25.99,-3.46,;27.32,-2.69,;28.65,-3.45,;28.66,-5,;27.32,-5.77,;27.32,-7.31,;28.66,-8.07,;26,-8.08,;24.65,-7.32,;24.65,-5.77,;25.98,-5,;26.01,-9.63,;27.26,-10.53,;26.79,-11.99,;27.7,-13.24,;29.23,-13.47,;28.99,-14.99,;30.47,-15.38,;29.39,-16.47,;27.47,-14.76,;25.25,-12,;24.23,-13.15,;22.72,-12.82,;22.25,-11.36,;23.28,-10.22,;22.8,-8.76,;24.77,-10.54,;29.98,-2.68,;31.32,-3.45,;32.65,-2.67,;32.64,-1.13,;31.3,-.36,;29.97,-1.14,)|
Show InChI InChI=1S/C28H26FN5O2/c1-3-36-21-13-20(16-7-5-4-6-8-16)32-23-18(21)9-10-19(22(23)29)24-25-26(30)31-11-12-34(25)27(33-24)17-14-28(2,35)15-17/h4-13,17,35H,3,14-15H2,1-2H3,(H2,30,31)/t17-,28+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50377237
PNG
(CHEMBL255735)
Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta

Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437358
PNG
(CHEMBL3037908)
Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.20,15.16,wD:17.19,(2.3,-.85,;2.3,-2.39,;3.63,-3.16,;4.96,-2.39,;6.3,-3.15,;6.31,-4.71,;4.97,-5.48,;4.97,-7.01,;3.65,-7.79,;2.3,-7.02,;2.3,-5.48,;3.63,-4.71,;3.66,-9.33,;4.91,-10.23,;4.44,-11.7,;5.35,-12.94,;6.87,-13.17,;6.63,-14.69,;8.12,-15.09,;7.03,-16.18,;5.12,-14.46,;2.9,-11.71,;1.88,-12.85,;.37,-12.53,;-.11,-11.07,;.93,-9.93,;.45,-8.46,;2.42,-10.25,;7.63,-2.38,;8.97,-3.15,;10.3,-2.38,;10.29,-.83,;8.94,-.07,;7.62,-.85,)|
Show InChI InChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29)/t18-,27+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437367
PNG
(CHEMBL3037915)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3c(Oc4ccccc4)cc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.16,-33.71,;16.68,-33.31,;17.08,-34.79,;16.92,-31.79,;15.39,-31.56,;15.16,-33.08,;14.48,-30.32,;14.95,-28.85,;13.7,-27.95,;13.69,-26.4,;12.34,-25.64,;12.34,-24.09,;13.68,-23.32,;13.68,-21.78,;12.34,-21.01,;12.34,-19.47,;13.69,-18.69,;13.69,-17.17,;12.35,-16.4,;11.01,-17.17,;11.02,-18.7,;15.01,-21.01,;16.34,-21.77,;16.35,-23.32,;15.01,-24.09,;15.02,-25.63,;16.35,-26.39,;17.67,-21,;19.01,-21.77,;20.34,-20.99,;20.34,-19.45,;18.99,-18.68,;17.66,-19.46,;12.46,-28.86,;10.97,-28.54,;10.5,-27.08,;9.94,-29.68,;10.41,-31.14,;11.92,-31.47,;12.94,-30.32,)|
Show InChI InChI=1S/C32H26FN5O2/c1-32(39)17-20(18-32)31-37-28(29-30(34)35-14-15-38(29)31)23-13-12-22-25(40-21-10-6-3-7-11-21)16-24(36-27(22)26(23)33)19-8-4-2-5-9-19/h2-16,20,39H,17-18H2,1H3,(H2,34,35)/t20-,32+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437361
PNG
(CHEMBL3037921)
Show SMILES CCOc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.18,19.23,(16.88,-36.18,;15.55,-36.95,;15.55,-38.49,;16.88,-39.26,;18.21,-38.49,;19.55,-39.25,;19.56,-40.81,;18.22,-41.58,;18.22,-43.11,;19.56,-43.88,;16.9,-43.89,;15.55,-43.12,;15.55,-41.58,;16.88,-40.81,;16.91,-45.43,;18.16,-46.33,;17.69,-47.8,;18.6,-49.04,;18.37,-50.56,;19.88,-50.79,;20.12,-49.27,;20.79,-52.03,;20.17,-53.44,;21.08,-54.68,;22.61,-54.52,;23.52,-55.77,;23.23,-53.11,;22.33,-51.86,;16.15,-47.81,;15.13,-48.95,;13.62,-48.63,;13.15,-47.17,;14.18,-46.03,;13.7,-44.56,;15.67,-46.34,;20.88,-38.48,;22.21,-39.25,;23.55,-38.48,;23.54,-36.93,;22.19,-36.17,;20.87,-36.95,)|
Show InChI InChI=1S/C32H34FN7O/c1-3-41-26-19-25(20-7-5-4-6-8-20)36-28-23(26)9-10-24(27(28)33)29-30-31(34)35-11-12-40(30)32(37-29)21-17-22(18-21)39-15-13-38(2)14-16-39/h4-12,19,21-22H,3,13-18H2,1-2H3,(H2,34,35)/t21-,22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437362
PNG
(CHEMBL3037920)
Show SMILES COc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:16.17,18.22,(3.57,-35.88,;3.58,-37.43,;4.91,-38.2,;6.24,-37.43,;7.58,-38.19,;7.58,-39.74,;6.24,-40.51,;6.25,-42.05,;7.59,-42.81,;4.92,-42.82,;3.58,-42.06,;3.58,-40.51,;4.91,-39.74,;4.93,-44.37,;6.18,-45.27,;5.71,-46.73,;6.63,-47.98,;6.39,-49.5,;7.91,-49.73,;8.15,-48.21,;8.82,-50.97,;8.2,-52.38,;9.1,-53.62,;10.64,-53.46,;11.54,-54.7,;11.26,-52.05,;10.35,-50.79,;4.17,-46.74,;3.15,-47.89,;1.65,-47.56,;1.17,-46.1,;2.2,-44.96,;1.73,-43.5,;3.7,-45.28,;8.9,-37.42,;10.24,-38.19,;11.57,-37.41,;11.57,-35.87,;10.22,-35.1,;8.9,-35.88,)|
Show InChI InChI=1S/C31H32FN7O/c1-37-12-14-38(15-13-37)21-16-20(17-21)31-36-28(29-30(33)34-10-11-39(29)31)23-9-8-22-25(40-2)18-24(35-27(22)26(23)32)19-6-4-3-5-7-19/h3-11,18,20-21H,12-17H2,1-2H3,(H2,33,34)/t20-,21+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM50377235
PNG
(CHEMBL402541)
Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha

Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50438335
PNG
(CHEMBL2408610)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.91,-9.17,;11.37,-8.7,;12.51,-9.73,;13.97,-9.25,;14.29,-7.76,;15.76,-7.28,;16.23,-5.82,;17.77,-5.82,;18.25,-7.28,;17,-8.19,;19.71,-7.76,;20.03,-9.27,;21.48,-9.75,;22.63,-8.72,;24.1,-9.21,;22.32,-7.22,;20.85,-6.73,;13.16,-6.73,;13.16,-5.19,;11.69,-4.72,;10.79,-5.97,;11.69,-7.2,;11.22,-3.25,;12.26,-2.12,;11.8,-.65,;10.29,-.32,;9.25,-1.47,;7.71,-1.46,;7.23,-2.93,;8.48,-3.83,;9.72,-2.93,)|
Show InChI InChI=1S/C22H20N6O2S/c23-22-20-16(8-19(30-20)15-2-1-3-18-21(15)31-27-26-18)17(10-24-22)12-9-25-28(11-12)13-4-6-14(29)7-5-13/h1-3,8-11,13-14,29H,4-7H2,(H2,23,24)/t13-,14-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP

Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437368
PNG
(CHEMBL3037914)
Show SMILES CC(C)Oc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:20.23,18.19,wD:20.22,(3.2,-17.1,;1.87,-17.87,;.53,-17.1,;1.87,-19.41,;3.21,-20.18,;4.54,-19.41,;5.87,-20.17,;5.88,-21.73,;4.54,-22.5,;4.54,-24.03,;5.88,-24.8,;3.22,-24.81,;1.87,-24.04,;1.87,-22.5,;3.2,-21.73,;3.23,-26.35,;4.48,-27.25,;4.01,-28.72,;4.92,-29.96,;6.44,-30.19,;6.21,-31.71,;7.69,-32.11,;6.61,-33.2,;4.69,-31.48,;2.47,-28.73,;1.45,-29.87,;-.07,-29.55,;-.54,-28.09,;.5,-26.95,;.02,-25.48,;1.99,-27.26,;7.2,-19.4,;8.54,-20.17,;9.87,-19.39,;9.86,-17.85,;8.52,-17.09,;7.19,-17.87,)|
Show InChI InChI=1S/C29H28FN5O2/c1-16(2)37-22-13-21(17-7-5-4-6-8-17)33-24-19(22)9-10-20(23(24)30)25-26-27(31)32-11-12-35(26)28(34-25)18-14-29(3,36)15-18/h4-13,16,18,36H,14-15H2,1-3H3,(H2,31,32)/t18-,29+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437372
PNG
(CHEMBL3037910)
Show SMILES CC(C)Oc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:19.22,17.18,wD:19.21,(26.66,-.05,;25.33,-.82,;23.99,-.05,;25.33,-2.36,;26.66,-3.13,;27.99,-2.36,;29.33,-3.12,;29.34,-4.68,;28,-5.45,;28,-6.98,;26.68,-7.76,;25.33,-6.99,;25.33,-5.45,;26.66,-4.68,;26.69,-9.3,;27.94,-10.2,;27.47,-11.67,;28.38,-12.91,;29.9,-13.14,;29.66,-14.66,;31.15,-15.06,;30.06,-16.15,;28.15,-14.43,;25.93,-11.68,;24.91,-12.82,;23.4,-12.5,;22.93,-11.04,;23.96,-9.9,;23.48,-8.43,;25.45,-10.21,;30.66,-2.35,;32,-3.12,;33.33,-2.34,;33.32,-.8,;31.98,-.04,;30.65,-.81,)|
Show InChI InChI=1S/C29H29N5O2/c1-17(2)36-24-14-22(18-7-5-4-6-8-18)32-23-13-19(9-10-21(23)24)25-26-27(30)31-11-12-34(26)28(33-25)20-15-29(3,35)16-20/h4-14,17,20,35H,15-16H2,1-3H3,(H2,30,31)/t20-,29+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM50437161
PNG
(CHEMBL2401832)
Show SMILES C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl |r,t:15|
Show InChI InChI=1S/C21H19Cl2FN4O3/c1-10(16-14(22)2-3-15(24)17(16)23)31-19-18-12(8-27-20(19)25)13(9-30-18)11-4-6-28(7-5-11)21(26)29/h2-4,8-10H,5-7H2,1H3,(H2,25,27)(H2,26,29)/t10-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin) autophosphorylation

Bioorg Med Chem Lett 23: 4381-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.074
BindingDB Entry DOI: 10.7270/Q2RB7601
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM50377237
PNG
(CHEMBL255735)
Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha

Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50323662
PNG
(CHEMBL1208954 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(Oc3ccnc(n3)N3CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C32H35N5O7S/c1-32(2,3)20-18-24(29(42-4)25(19-20)36-45(5,40)41)34-30(39)28(38)23-10-11-26(22-9-7-6-8-21(22)23)44-27-12-13-33-31(35-27)37-14-16-43-17-15-37/h6-13,18-19,36H,14-17H2,1-5H3,(H,34,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA

Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50377235
PNG
(CHEMBL402541)
Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta

Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50274366
PNG
(2-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-N-(4-(2-...)
Show SMILES Cn1nc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C26H32N4O4/c1-26(2,3)23-17-21(29(4)28-23)24(31)25(32)27-20-9-10-22(19-8-6-5-7-18(19)20)34-16-13-30-11-14-33-15-12-30/h5-10,17H,11-16H2,1-4H3,(H,27,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha

Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50438329
PNG
(CHEMBL2408616)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C(F)F)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.16,-24.66,;48.63,-24.19,;49.76,-25.22,;51.23,-24.74,;51.55,-23.24,;53.01,-22.77,;53.49,-21.3,;55.03,-21.3,;55.51,-22.77,;54.26,-23.67,;56.97,-23.24,;57.28,-24.76,;58.74,-25.24,;59.89,-24.21,;61.35,-24.69,;59.57,-22.7,;58.1,-22.22,;50.41,-22.22,;50.41,-20.68,;51.66,-19.77,;53.06,-20.4,;51.5,-18.24,;48.95,-20.2,;48.04,-21.45,;48.95,-22.69,;48.48,-18.74,;49.52,-17.6,;49.05,-16.14,;47.55,-15.81,;46.51,-16.95,;44.97,-16.95,;44.49,-18.41,;45.73,-19.32,;46.98,-18.42,)|
Show InChI InChI=1S/C23H20F2N6O2S/c24-22(25)18-17-15(11-8-28-31(10-11)12-4-6-13(32)7-5-12)9-27-23(26)20(17)33-19(18)14-2-1-3-16-21(14)34-30-29-16/h1-3,8-10,12-13,22,32H,4-7H2,(H2,26,27)/t12-,13-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP

Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))		BDBM50438335
PNG
(CHEMBL2408610)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.91,-9.17,;11.37,-8.7,;12.51,-9.73,;13.97,-9.25,;14.29,-7.76,;15.76,-7.28,;16.23,-5.82,;17.77,-5.82,;18.25,-7.28,;17,-8.19,;19.71,-7.76,;20.03,-9.27,;21.48,-9.75,;22.63,-8.72,;24.1,-9.21,;22.32,-7.22,;20.85,-6.73,;13.16,-6.73,;13.16,-5.19,;11.69,-4.72,;10.79,-5.97,;11.69,-7.2,;11.22,-3.25,;12.26,-2.12,;11.8,-.65,;10.29,-.32,;9.25,-1.47,;7.71,-1.46,;7.23,-2.93,;8.48,-3.83,;9.72,-2.93,)|
Show InChI InChI=1S/C22H20N6O2S/c23-22-20-16(8-19(30-20)15-2-1-3-18-21(15)31-27-26-18)17(10-24-22)12-9-25-28(11-12)13-4-6-14(29)7-5-13/h1-3,8-11,13-14,29H,4-7H2,(H2,23,24)/t13-,14-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation

Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437366
PNG
(CHEMBL3037916)
Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:15.16,17.21,(22.07,-17.53,;22.08,-19.07,;23.41,-19.84,;24.74,-19.07,;26.08,-19.83,;26.08,-21.38,;24.74,-22.16,;24.75,-23.69,;23.42,-24.47,;22.08,-23.7,;22.08,-22.16,;23.41,-21.39,;23.43,-26.01,;24.68,-26.91,;24.22,-28.38,;25.13,-29.62,;24.89,-31.14,;26.41,-31.37,;26.65,-29.85,;27.32,-32.61,;26.7,-34.02,;27.6,-35.26,;29.14,-35.1,;30.04,-36.35,;29.76,-33.69,;28.85,-32.44,;22.67,-28.39,;21.65,-29.53,;20.15,-29.21,;19.67,-27.74,;20.7,-26.61,;20.23,-25.14,;22.2,-26.92,;27.4,-19.06,;28.74,-19.83,;30.07,-19.05,;30.07,-17.51,;28.72,-16.74,;27.4,-17.52,)|
Show InChI InChI=1S/C31H33N7O/c1-36-12-14-37(15-13-36)23-16-22(17-23)31-35-28(29-30(32)33-10-11-38(29)31)21-8-9-24-26(18-21)34-25(19-27(24)39-2)20-6-4-3-5-7-20/h3-11,18-19,22-23H,12-17H2,1-2H3,(H2,32,33)/t22-,23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))		BDBM50438322
PNG
(CHEMBL2408612)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C#N)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.34,-10.13,;48.81,-9.66,;49.94,-10.69,;51.41,-10.21,;51.72,-8.71,;53.19,-8.24,;53.67,-6.77,;55.21,-6.77,;55.68,-8.24,;54.44,-9.14,;57.15,-8.71,;57.46,-10.23,;58.92,-10.71,;60.07,-9.68,;61.53,-10.16,;59.75,-8.17,;58.28,-7.69,;50.59,-7.69,;50.59,-6.15,;51.83,-5.25,;53.07,-4.34,;49.13,-5.68,;48.22,-6.92,;49.13,-8.16,;48.66,-4.21,;49.7,-3.07,;49.23,-1.61,;47.72,-1.28,;46.69,-2.42,;45.15,-2.42,;44.67,-3.88,;45.91,-4.79,;47.16,-3.89,)|
Show InChI InChI=1S/C23H19N7O2S/c24-8-16-19-17(12-9-27-30(11-12)13-4-6-14(31)7-5-13)10-26-23(25)21(19)32-20(16)15-2-1-3-18-22(15)33-29-28-18/h1-3,9-11,13-14,31H,4-7H2,(H2,25,26)/t13-,14-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation

Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50438331
PNG
(CHEMBL2408615)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(CF)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28.58,-24.18,;30.05,-23.7,;31.18,-24.73,;32.65,-24.26,;32.97,-22.76,;34.43,-22.29,;34.91,-20.82,;36.45,-20.82,;36.92,-22.28,;35.68,-23.19,;38.39,-22.76,;38.7,-24.28,;40.16,-24.75,;41.31,-23.73,;42.77,-24.21,;40.99,-22.22,;39.52,-21.74,;31.83,-21.74,;31.83,-20.2,;33.08,-19.29,;32.91,-17.76,;30.37,-19.72,;29.46,-20.97,;30.37,-22.21,;29.9,-18.26,;30.94,-17.12,;30.47,-15.65,;28.96,-15.32,;27.93,-16.47,;26.39,-16.47,;25.91,-17.93,;27.15,-18.84,;28.4,-17.93,)|
Show InChI InChI=1S/C23H21FN6O2S/c24-8-16-19-17(12-9-27-30(11-12)13-4-6-14(31)7-5-13)10-26-23(25)21(19)32-20(16)15-2-1-3-18-22(15)33-29-28-18/h1-3,9-11,13-14,31H,4-8H2,(H2,25,26)/t13-,14-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP

Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA

Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase phosphorylation

Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))		BDBM50438317
PNG
(CHEMBL2408611)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)|
Show InChI InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)/t12-,13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation

Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))		BDBM50438329
PNG
(CHEMBL2408616)
Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(C(F)F)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(47.16,-24.66,;48.63,-24.19,;49.76,-25.22,;51.23,-24.74,;51.55,-23.24,;53.01,-22.77,;53.49,-21.3,;55.03,-21.3,;55.51,-22.77,;54.26,-23.67,;56.97,-23.24,;57.28,-24.76,;58.74,-25.24,;59.89,-24.21,;61.35,-24.69,;59.57,-22.7,;58.1,-22.22,;50.41,-22.22,;50.41,-20.68,;51.66,-19.77,;53.06,-20.4,;51.5,-18.24,;48.95,-20.2,;48.04,-21.45,;48.95,-22.69,;48.48,-18.74,;49.52,-17.6,;49.05,-16.14,;47.55,-15.81,;46.51,-16.95,;44.97,-16.95,;44.49,-18.41,;45.73,-19.32,;46.98,-18.42,)|
Show InChI InChI=1S/C23H20F2N6O2S/c24-22(25)18-17-15(11-8-28-31(10-11)12-4-6-13(32)7-5-12)9-27-23(26)20(17)33-19(18)14-2-1-3-16-21(14)34-30-29-16/h1-3,8-10,12-13,22,32H,4-7H2,(H2,26,27)/t12-,13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



OSI Pharmaceuticals LLC

Curated by ChEMBL


Assay Description
Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation

Bioorg Med Chem Lett 23: 4511-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.054
BindingDB Entry DOI: 10.7270/Q2FN17MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50274368
PNG
(2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(6-(morph...)
Show SMILES Cc1oc(cc1C(=O)C(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H33N3O4/c1-20-26(17-28(38-20)31(2,3)4)29(35)30(36)33-27-12-11-23(24-7-5-6-8-25(24)27)21-9-10-22(32-18-21)19-34-13-15-37-16-14-34/h5-12,17-18H,13-16,19H2,1-4H3,(H,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha phosphorylation

Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM50377240
PNG
(CHEMBL404565)
Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1
Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha

Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50323668
PNG
(CHEMBL1208953 | N-(5-tert-butyl-2-methoxy-3-(methy...)
Show SMILES CNc1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(cc(NS(C)(=O)=O)c3OC)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C29H32N6O5S/c1-29(2,3)17-15-22(26(40-5)23(16-17)35-41(6,38)39)33-27(37)25(36)20-11-12-21(19-10-8-7-9-18(19)20)32-24-13-14-31-28(30-4)34-24/h7-16,35H,1-6H3,(H,33,37)(H2,30,31,32,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of phospho-p38 alpha activity by ELISA

Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50274367
PNG
(2-(5-tert-butyl-2-methylfuran-3-yl)-N-(4-(2-morpho...)
Show SMILES Cc1oc(cc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C27H32N2O5/c1-18-21(17-24(34-18)27(2,3)4)25(30)26(31)28-22-9-10-23(20-8-6-5-7-19(20)22)33-16-13-29-11-14-32-15-12-29/h5-10,17H,11-16H2,1-4H3,(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha

Bioorg Med Chem Lett 18: 5456-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.028
BindingDB Entry DOI: 10.7270/Q2154GWM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50323666
PNG
(CHEMBL1209013 | N-(5-tert-butyl-3-cyano-2-methoxyp...)
Show SMILES COc1c(NC(=O)C(=O)c2ccc(-c3ccnc(C)c3)c3ccccc23)cc(cc1C#N)C(C)(C)C
Show InChI InChI=1S/C30H27N3O3/c1-18-14-19(12-13-32-18)22-10-11-25(24-9-7-6-8-23(22)24)27(34)29(35)33-26-16-21(30(2,3)4)15-20(17-31)28(26)36-5/h6-16H,1-5H3,(H,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38 alpha activity by ELISA

Bioorg Med Chem Lett 20: 4819-24 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.102
BindingDB Entry DOI: 10.7270/Q2V40W66
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))		BDBM50377232
PNG
(CHEMBL253956)
Show SMILES O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3|
Show InChI InChI=1S/C18H12N6O2/c25-17-13-9-5-4-8-12(13)16(26-17)21-18-19-10-14-15(20-18)24(23-22-14)11-6-2-1-3-7-11/h1-10,16H,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha

Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50374798
PNG
(CHEMBL255410)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)C(N=O)c1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H37N5O4/c1-22-9-11-23(12-10-22)37-29(21-28(34-37)32(2,3)4)33-31(38)30(35-39)26-13-14-27(25-8-6-5-7-24(25)26)41-20-17-36-15-18-40-19-16-36/h5-14,21,30H,15-20H2,1-4H3,(H,33,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha kinase

Bioorg Med Chem Lett 18: 1772-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.033
BindingDB Entry DOI: 10.7270/Q2542PFD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50377232
PNG
(CHEMBL253956)
Show SMILES O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3|
Show InChI InChI=1S/C18H12N6O2/c25-17-13-9-5-4-8-12(13)16(26-17)21-18-19-10-14-15(20-18)24(23-22-14)11-6-2-1-3-7-11/h1-10,16H,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta

Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437371
PNG
(CHEMBL3037911)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3c(Oc4ccccc4)cc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(41.6,-16.89,;40.11,-16.49,;40.51,-17.98,;40.35,-14.97,;38.83,-14.74,;38.6,-16.26,;37.92,-13.5,;38.39,-12.03,;37.14,-11.13,;37.13,-9.59,;35.78,-8.82,;35.78,-7.28,;37.11,-6.51,;37.11,-4.96,;35.78,-4.19,;35.78,-2.65,;37.12,-1.88,;37.12,-.35,;35.79,.44,;34.45,-.36,;34.46,-1.88,;38.44,-4.19,;39.78,-4.95,;39.79,-6.5,;38.45,-7.28,;38.45,-8.81,;41.11,-4.18,;42.45,-4.95,;43.78,-4.17,;43.77,-2.63,;42.42,-1.87,;41.1,-2.64,;35.9,-12.04,;34.41,-11.73,;33.93,-10.26,;33.38,-12.87,;33.85,-14.33,;35.36,-14.65,;36.38,-13.51,)|
Show InChI InChI=1S/C32H27N5O2/c1-32(38)18-22(19-32)31-36-28(29-30(33)34-14-15-37(29)31)21-12-13-24-26(16-21)35-25(20-8-4-2-5-9-20)17-27(24)39-23-10-6-3-7-11-23/h2-17,22,38H,18-19H2,1H3,(H2,33,34)/t22-,32+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50437365
PNG
(CHEMBL3037917)
Show SMILES CCOc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:16.17,18.22,(33.34,-17.94,;32.01,-18.71,;32.01,-20.25,;33.34,-21.02,;34.67,-20.25,;36.01,-21.01,;36.01,-22.57,;34.68,-23.34,;34.68,-24.87,;33.35,-25.65,;32.01,-24.88,;32.01,-23.34,;33.34,-22.57,;33.36,-27.19,;34.62,-28.09,;34.15,-29.56,;35.06,-30.8,;34.82,-32.32,;36.34,-32.55,;36.58,-31.03,;37.25,-33.79,;36.63,-35.2,;37.54,-36.44,;39.07,-36.28,;39.98,-37.53,;39.69,-34.87,;38.79,-33.62,;32.61,-29.57,;31.59,-30.71,;30.08,-30.39,;29.6,-28.93,;30.64,-27.79,;30.16,-26.32,;32.13,-28.1,;37.34,-20.24,;38.67,-21.01,;40.01,-20.24,;40,-18.69,;38.65,-17.93,;37.33,-18.71,)|
Show InChI InChI=1S/C32H35N7O/c1-3-40-28-20-26(21-7-5-4-6-8-21)35-27-19-22(9-10-25(27)28)29-30-31(33)34-11-12-39(30)32(36-29)23-17-24(18-23)38-15-13-37(2)14-16-38/h4-12,19-20,23-24H,3,13-18H2,1-2H3,(H2,33,34)/t23-,24+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...

ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 278 total )  |  Next  |  Last  >>
Jump to: