BindingDB logo
myBDB logout

BDBM50151751 3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetrahydro-pyran-3-carboxylic acid hydroxyamide::CHEMBL275053

SMILES: Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO

InChI Key: InChIKey=ZIMPTCJSUZVWEK-IEBWSBKVSA-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 = 50151751   
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))
BDBM50151751
PNG
(3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...)
Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/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>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

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
Collagenase


(Homo sapiens (Human))
BDBM50151751
PNG
(3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...)
Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/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 0.430n/an/an/an/an/an/a



Pfizer Global Research and Development

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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50151751
PNG
(3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...)
Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO
Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/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<30n/an/an/an/an/an/a



Pfizer Global Research and Development

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