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BDBM88796 MLS001110505::N-(2-chloranyl-4-methyl-phenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide::N-(2-chloro-4-methyl-phenyl)-2-morpholino-1,3-benzothiazole-6-carboxamide::N-(2-chloro-4-methylphenyl)-2-(4-morpholinyl)-1,3-benzothiazole-6-carboxamide::N-(2-chloro-4-methylphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide::SMR000624920::cid_24793673

SMILES: Cc1ccc(NC(=O)c2ccc3nc(sc3c2)N2CCOCC2)c(Cl)c1

InChI Key: InChIKey=AZOCHEDRHKZYKS-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 88796   
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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88796
PNG
(MLS001110505 | N-(2-chloranyl-4-methyl-phenyl)-2-m...)
Show SMILES Cc1ccc(NC(=O)c2ccc3nc(sc3c2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2S/c1-12-2-4-15(14(20)10-12)21-18(24)13-3-5-16-17(11-13)26-19(22-16)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

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PCBioAssay
n/an/a 1.72E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM88796
PNG
(MLS001110505 | N-(2-chloranyl-4-methyl-phenyl)-2-m...)
Show SMILES Cc1ccc(NC(=O)c2ccc3nc(sc3c2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2S/c1-12-2-4-15(14(20)10-12)21-18(24)13-3-5-16-17(11-13)26-19(22-16)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)
PDB
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n/an/a 804n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM88796
PNG
(MLS001110505 | N-(2-chloranyl-4-methyl-phenyl)-2-m...)
Show SMILES Cc1ccc(NC(=O)c2ccc3nc(sc3c2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2S/c1-12-2-4-15(14(20)10-12)21-18(24)13-3-5-16-17(11-13)26-19(22-16)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88796
PNG
(MLS001110505 | N-(2-chloranyl-4-methyl-phenyl)-2-m...)
Show SMILES Cc1ccc(NC(=O)c2ccc3nc(sc3c2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2S/c1-12-2-4-15(14(20)10-12)21-18(24)13-3-5-16-17(11-13)26-19(22-16)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)
PDB
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KEGG

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UniChem

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n/an/a 2.24E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM88796
PNG
(MLS001110505 | N-(2-chloranyl-4-methyl-phenyl)-2-m...)
Show SMILES Cc1ccc(NC(=O)c2ccc3nc(sc3c2)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2S/c1-12-2-4-15(14(20)10-12)21-18(24)13-3-5-16-17(11-13)26-19(22-16)23-6-8-25-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)
PDB
MMDB

NCI pathway
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PCBioAssay
n/an/a 1.97E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair