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BDBM50374195 CHEMBL257088

SMILES: CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=HAPYOOOJPQOLHH-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50374195   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 405-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.049
BindingDB Entry DOI: 10.7270/Q2T154HP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 405-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.049
BindingDB Entry DOI: 10.7270/Q2T154HP
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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n/an/a 2.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 405-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.049
BindingDB Entry DOI: 10.7270/Q2T154HP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
PDB
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n/an/a 2.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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Reactome pathway
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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Reactome pathway
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PubMed
n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
PDB
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Reactome pathway
KEGG

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PC cid
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UniChem

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Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair