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SMILES: CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1

InChI Key: InChIKey=QUMAYKINOQNINW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50311726   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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PC cid
PC sid
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 455n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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PubMed
n/an/a 7.86E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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 180n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair