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SMILES: COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1

InChI Key: InChIKey=XEXJRQIFMJLDKP-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50430333   
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))
BDBM50430333
PNG
(CHEMBL2334288)
Show SMILES COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-5-2-11(3-6-14)17(20)18-23-16-7-4-12(13-9-21-22-10-13)8-15(16)19(25)24-18/h2-10,17H,20H2,1H3,(H,21,22)(H,23,24,25)
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6-His-tagged ROCK2 expressed in baculovirus-infected Sf9 cells using LCB-AKRRRLSSLRA-NH2 as substrate after 25 mins b...


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430333
PNG
(CHEMBL2334288)
Show SMILES COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-5-2-11(3-6-14)17(20)18-23-16-7-4-12(13-9-21-22-10-13)8-15(16)19(25)24-18/h2-10,17H,20H2,1H3,(H,21,22)(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50430333
PNG
(CHEMBL2334288)
Show SMILES COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-5-2-11(3-6-14)17(20)18-23-16-7-4-12(13-9-21-22-10-13)8-15(16)19(25)24-18/h2-10,17H,20H2,1H3,(H,21,22)(H,23,24,25)
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n/an/a 48n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50430333
PNG
(CHEMBL2334288)
Show SMILES COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-5-2-11(3-6-14)17(20)18-23-16-7-4-12(13-9-21-22-10-13)8-15(16)19(25)24-18/h2-10,17H,20H2,1H3,(H,21,22)(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50430333
PNG
(CHEMBL2334288)
Show SMILES COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-5-2-11(3-6-14)17(20)18-23-16-7-4-12(13-9-21-22-10-13)8-15(16)19(25)24-18/h2-10,17H,20H2,1H3,(H,21,22)(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin)


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50430333
PNG
(CHEMBL2334288)
Show SMILES COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-5-2-11(3-6-14)17(20)18-23-16-7-4-12(13-9-21-22-10-13)8-15(16)19(25)24-18/h2-10,17H,20H2,1H3,(H,21,22)(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin)


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50430333
PNG
(CHEMBL2334288)
Show SMILES COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-5-2-11(3-6-14)17(20)18-23-16-7-4-12(13-9-21-22-10-13)8-15(16)19(25)24-18/h2-10,17H,20H2,1H3,(H,21,22)(H,23,24,25)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair