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BDBM50194024 3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxyphenylamino)isothiazole-4-carboximidamide::CHEMBL437331

SMILES: CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O

InChI Key: InChIKey=QDWSVWMOWVHELW-UHFFFAOYSA-N

Data: 7 IC50  1 EC50

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 8 hits for monomerid = 50194024   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194024
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25)
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n/an/a 33n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 activity


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194024
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25)
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n/an/an/an/a 42n/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50194024
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25)
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n/an/a 26n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MEK-1


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50194024
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25)
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n/an/a 455n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Axl


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50194024
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25)
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n/an/a 142n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of CHK2


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase 2/S6K1


(Homo sapiens (Human))
BDBM50194024
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25)
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n/an/a 2.62E+3n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of p70 S6 kinase


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50194024
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25)
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n/an/a 260n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50194024
PNG
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25)
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n/an/a 795n/an/an/an/an/an/a



Valeant Pharmaceuticals Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Flt-3


Bioorg Med Chem Lett 16: 5561-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.048
More data for this
Ligand-Target Pair