BindingDB logo
myBDB logout

BDBM50151732 4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-hydroxy-tetrahydro-pyran-3-carboxylic acid hydroxyamide::CHEMBL366111

SMILES: ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=WJULIBHPWZXMJA-IEBWSBKVSA-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 = 50151732   
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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against aggrecanase


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 9


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 14


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 12


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 2


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 920n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 1


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease 3


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50151732
PNG
(4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...)
Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration against matrix metalloprotease 13


Bioorg Med Chem Lett 14: 4727-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.081
BindingDB Entry DOI: 10.7270/Q29S1QGP
More data for this
Ligand-Target Pair