Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50032452 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50329498
(CHEMBL1271447 | N-(6-benzyl-2-(phenethylamino)-5,6...)Show SMILES O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H31N5O2S/c38-40(39,28-16-15-26-13-7-8-14-27(26)21-28)36-31-29-23-37(22-25-11-5-2-6-12-25)20-18-30(29)34-32(35-31)33-19-17-24-9-3-1-4-10-24/h1-16,21H,17-20,22-23H2,(H2,33,34,35,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MLCK |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50329498
(CHEMBL1271447 | N-(6-benzyl-2-(phenethylamino)-5,6...)Show SMILES O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H31N5O2S/c38-40(39,28-16-15-26-13-7-8-14-27(26)21-28)36-31-29-23-37(22-25-11-5-2-6-12-25)20-18-30(29)34-32(35-31)33-19-17-24-9-3-1-4-10-24/h1-16,21H,17-20,22-23H2,(H2,33,34,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50329498
(CHEMBL1271447 | N-(6-benzyl-2-(phenethylamino)-5,6...)Show SMILES O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H31N5O2S/c38-40(39,28-16-15-26-13-7-8-14-27(26)21-28)36-31-29-23-37(22-25-11-5-2-6-12-25)20-18-30(29)34-32(35-31)33-19-17-24-9-3-1-4-10-24/h1-16,21H,17-20,22-23H2,(H2,33,34,35,36) | 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/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50329499
(CHEMBL1270331 | N-(6-benzyl-2-(phenethylamino)-5,6...)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12 Show InChI InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50329499
(CHEMBL1270331 | N-(6-benzyl-2-(phenethylamino)-5,6...)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12 Show InChI InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50329499
(CHEMBL1270331 | N-(6-benzyl-2-(phenethylamino)-5,6...)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12 Show InChI InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MLCK |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50329500
(4-chloro-N-(2-(phenethylamino)pyrimidin-4-yl)benze...)Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccnc(NCCc2ccccc2)n1 Show InChI InChI=1S/C18H17ClN4O2S/c19-15-6-8-16(9-7-15)26(24,25)23-17-11-13-21-18(22-17)20-12-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H2,20,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MLCK |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV
(Homo sapiens (Human)) | BDBM50329498
(CHEMBL1271447 | N-(6-benzyl-2-(phenethylamino)-5,6...)Show SMILES O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H31N5O2S/c38-40(39,28-16-15-26-13-7-8-14-27(26)21-28)36-31-29-23-37(22-25-11-5-2-6-12-25)20-18-30(29)34-32(35-31)33-19-17-24-9-3-1-4-10-24/h1-16,21H,17-20,22-23H2,(H2,33,34,35,36) | 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/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CAMK4 |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type IV
(Homo sapiens (Human)) | BDBM50329499
(CHEMBL1270331 | N-(6-benzyl-2-(phenethylamino)-5,6...)Show SMILES Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12 Show InChI InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CAMK4 |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
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