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BDBM50329499 CHEMBL1270331::N-(6-benzyl-2-(phenethylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-3-chloro-2-methylbenzenesulfonamide

SMILES: Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12

InChI Key: InChIKey=LGUUETDTMQTHML-UHFFFAOYSA-N

Data: 4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50329499   
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
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50329499
PNG
(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)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50329499
PNG
(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)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50329499
PNG
(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)
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50329499
PNG
(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)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair