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BDBM50105458 CHEMBL433171::N-Hydroxy-2-methyl-2-phenethylamino-3-(4-phenoxy-benzenesulfonyl)-propionamide

SMILES: CC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NCCc1ccccc1)C(=O)NO

InChI Key: InChIKey=IXBLAZNLURBEMT-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 = 50105458   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50105458
PNG
(CHEMBL433171 | N-Hydroxy-2-methyl-2-phenethylamino...)
Show SMILES CC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NCCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-24(23(27)26-28,25-17-16-19-8-4-2-5-9-19)18-32(29,30)22-14-12-21(13-15-22)31-20-10-6-3-7-11-20/h2-15,25,28H,16-18H2,1H3,(H,26,27)
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Bioorg Med Chem 24: 4291-4309 (2016)


Article DOI: 10.1016/j.bmc.2016.07.023
BindingDB Entry DOI: 10.7270/Q2S46TW0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50105458
PNG
(CHEMBL433171 | N-Hydroxy-2-methyl-2-phenethylamino...)
Show SMILES CC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NCCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-24(23(27)26-28,25-17-16-19-8-4-2-5-9-19)18-32(29,30)22-14-12-21(13-15-22)31-20-10-6-3-7-11-20/h2-15,25,28H,16-18H2,1H3,(H,26,27)
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Bioorg Med Chem 24: 4291-4309 (2016)


Article DOI: 10.1016/j.bmc.2016.07.023
BindingDB Entry DOI: 10.7270/Q2S46TW0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50105458
PNG
(CHEMBL433171 | N-Hydroxy-2-methyl-2-phenethylamino...)
Show SMILES CC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NCCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-24(23(27)26-28,25-17-16-19-8-4-2-5-9-19)18-32(29,30)22-14-12-21(13-15-22)31-20-10-6-3-7-11-20/h2-15,25,28H,16-18H2,1H3,(H,26,27)
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against human Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 2723-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00557-1
BindingDB Entry DOI: 10.7270/Q29G5NCX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50105458
PNG
(CHEMBL433171 | N-Hydroxy-2-methyl-2-phenethylamino...)
Show SMILES CC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NCCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-24(23(27)26-28,25-17-16-19-8-4-2-5-9-19)18-32(29,30)22-14-12-21(13-15-22)31-20-10-6-3-7-11-20/h2-15,25,28H,16-18H2,1H3,(H,26,27)
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against human Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 2723-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00557-1
BindingDB Entry DOI: 10.7270/Q29G5NCX
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50105458
PNG
(CHEMBL433171 | N-Hydroxy-2-methyl-2-phenethylamino...)
Show SMILES CC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NCCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C24H26N2O5S/c1-24(23(27)26-28,25-17-16-19-8-4-2-5-9-19)18-32(29,30)22-14-12-21(13-15-22)31-20-10-6-3-7-11-20/h2-15,25,28H,16-18H2,1H3,(H,26,27)
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Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against human Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 2723-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00557-1
BindingDB Entry DOI: 10.7270/Q29G5NCX
More data for this
Ligand-Target Pair