BindingDB logo
myBDB logout

BDBM50196392 3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenylamino-phenylamino)-isothiazole-4-carboxamidine::3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenylamino)phenylamino)isothiazole-4-carboximidamide::CHEMBL253116

SMILES: CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O

InChI Key: InChIKey=WHWRHSZXRYNDDO-UHFFFAOYSA-N

Data: 8 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 9 hits for monomerid = 50196392   
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))		BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 266n/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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 45n/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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 240n/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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))		BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 13n/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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))		BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Valeant Pharmaceutical Research and Development 3300 Hyland Avenue

Curated by ChEMBL


Assay Description
Inhibition of Chk2 kinase

Bioorg Med Chem Lett 17: 172-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.067
BindingDB Entry DOI: 10.7270/Q23N231J
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase 2/S6K1


(Homo sapiens (Human))		BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.00E+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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 448n/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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 265n/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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50196392
PNG
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)
Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 389n/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
BindingDB Entry DOI: 10.7270/Q2J38S5D
More data for this
Ligand-Target Pair