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BDBM50090382 4-Benzyloxy-N-hydroxy-3-(4-methoxy-benzenesulfonyl)-butyramide::CHEMBL45208

SMILES: COc1ccc(cc1)S(=O)(=O)C(COCc1ccccc1)CC(=O)NO

InChI Key: InChIKey=LBHXVNIHKACCKG-UHFFFAOYSA-N

Data: 3 KI

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 = 50090382   
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))
BDBM50090382
PNG
(4-Benzyloxy-N-hydroxy-3-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(COCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO6S/c1-24-15-7-9-16(10-8-15)26(22,23)17(11-18(20)19-21)13-25-12-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3,(H,19,20)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
38n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-2.


Bioorg Med Chem Lett 10: 1637-40 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50090382
PNG
(4-Benzyloxy-N-hydroxy-3-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(COCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO6S/c1-24-15-7-9-16(10-8-15)26(22,23)17(11-18(20)19-21)13-25-12-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3,(H,19,20)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
1.43E+3n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-3.


Bioorg Med Chem Lett 10: 1637-40 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50090382
PNG
(4-Benzyloxy-N-hydroxy-3-(4-methoxy-benzenesulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(COCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H21NO6S/c1-24-15-7-9-16(10-8-15)26(22,23)17(11-18(20)19-21)13-25-12-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-1.


Bioorg Med Chem Lett 10: 1637-40 (2000)


BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair