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BDBM50096473 2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-6-methyl-benzamide::CHEMBL77237

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cccc(C)c1C(=O)NO

InChI Key: InChIKey=WTWNYQALQSSSPL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50096473   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096473
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cccc(C)c1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(21(16)22(25)23-26)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
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PC cid
PC sid
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PubMed
n/an/a 440n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 235-8 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096473
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cccc(C)c1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(21(16)22(25)23-26)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
PDB
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PubMed
n/an/a 717n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 235-8 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096473
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1cccc(C)c1C(=O)NO
Show InChI InChI=1S/C22H22N2O5S/c1-16-7-6-10-20(21(16)22(25)23-26)24(15-17-8-4-3-5-9-17)30(27,28)19-13-11-18(29-2)12-14-19/h3-14,26H,15H2,1-2H3,(H,23,25)
PDB
MMDB

Reactome pathway
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UniChem

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PubMed
n/an/a 1.57E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 235-8 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair