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BDBM50374192 CHEMBL271866

SMILES: Oc1cccn(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c1=O

InChI Key: InChIKey=CDYLCTGLLNQEQF-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 = 50374192   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50374192
PNG
(CHEMBL271866)
Show SMILES Oc1cccn(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c1=O
Show InChI InChI=1S/C19H14F3NO6S/c20-19(21,22)29-15-5-3-13(4-6-15)28-14-7-9-16(10-8-14)30(26,27)12-23-11-1-2-17(24)18(23)25/h1-11,24H,12H2
PDB
MMDB

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Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


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))
BDBM50374192
PNG
(CHEMBL271866)
Show SMILES Oc1cccn(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c1=O
Show InChI InChI=1S/C19H14F3NO6S/c20-19(21,22)29-15-5-3-13(4-6-15)28-14-7-9-16(10-8-14)30(26,27)12-23-11-1-2-17(24)18(23)25/h1-11,24H,12H2
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n/an/a 12.6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

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))
BDBM50374192
PNG
(CHEMBL271866)
Show SMILES Oc1cccn(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c1=O
Show InChI InChI=1S/C19H14F3NO6S/c20-19(21,22)29-15-5-3-13(4-6-15)28-14-7-9-16(10-8-14)30(26,27)12-23-11-1-2-17(24)18(23)25/h1-11,24H,12H2
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n/an/a 4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50374192
PNG
(CHEMBL271866)
Show SMILES Oc1cccn(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c1=O
Show InChI InChI=1S/C19H14F3NO6S/c20-19(21,22)29-15-5-3-13(4-6-15)28-14-7-9-16(10-8-14)30(26,27)12-23-11-1-2-17(24)18(23)25/h1-11,24H,12H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

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
Stromelysin-1


(Homo sapiens (Human))
BDBM50374192
PNG
(CHEMBL271866)
Show SMILES Oc1cccn(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c1=O
Show InChI InChI=1S/C19H14F3NO6S/c20-19(21,22)29-15-5-3-13(4-6-15)28-14-7-9-16(10-8-14)30(26,27)12-23-11-1-2-17(24)18(23)25/h1-11,24H,12H2
PDB
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PC sid
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Article
PubMed
n/an/a 203n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


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