BindingDB logo
myBDB logout

BDBM50143732 (2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,5-trihydroxy-piperidine-2-carboxylic acid hydroxyamide::CHEMBL58577

SMILES: ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=LQZDEWIIFWHTLX-BRSBDYLESA-N

Data: 4 KI  1 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 = 50143732   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human tumor necrosis factor alpha converting enzyme


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 3


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 9


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>850n/an/an/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matrix metalloprotease 1


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50143732
PNG
((2R,3R,4R,5R)-1-(4-Benzyloxy-benzenesulfonyl)-3,4,...)
Show SMILES ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O8S/c22-15-10-21(16(19(25)20-26)18(24)17(15)23)30(27,28)14-8-6-13(7-9-14)29-11-12-4-2-1-3-5-12/h1-9,15-18,22-24,26H,10-11H2,(H,20,25)/t15-,16-,17-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Hokkaido Collaboration Center N-21

Curated by ChEMBL


Assay Description
Inhibition of heparin-binding HB-EGF shedding


J Med Chem 47: 1930-8 (2004)


Article DOI: 10.1021/jm0304313
BindingDB Entry DOI: 10.7270/Q2ZS2VXF
More data for this
Ligand-Target Pair