BindingDB logo
myBDB logout

BDBM50103175 CHEMBL71645::N-Hydroxy-2-[(4'-methoxy-biphenyl-4-sulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide::N-hydroxy-2-(4'-methoxy-N-(pyridin-3-ylmethyl)biphenyl-4-ylsulfonamido)-3-methylbenzamide

SMILES: COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO

InChI Key: InChIKey=WMBVCTBFQRRSBU-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50103175   
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))
BDBM50103175
PNG
(CHEMBL71645 | N-Hydroxy-2-[(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-5-3-7-25(27(31)29-32)26(19)30(18-20-6-4-16-28-17-20)36(33,34)24-14-10-22(11-15-24)21-8-12-23(35-2)13-9-21/h3-17,32H,18H2,1-2H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 152n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50103175
PNG
(CHEMBL71645 | N-Hydroxy-2-[(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-5-3-7-25(27(31)29-32)26(19)30(18-20-6-4-16-28-17-20)36(33,34)24-14-10-22(11-15-24)21-8-12-23(35-2)13-9-21/h3-17,32H,18H2,1-2H3,(H,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103175
PNG
(CHEMBL71645 | N-Hydroxy-2-[(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-5-3-7-25(27(31)29-32)26(19)30(18-20-6-4-16-28-17-20)36(33,34)24-14-10-22(11-15-24)21-8-12-23(35-2)13-9-21/h3-17,32H,18H2,1-2H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 152n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit matrix metalloprotease-9.


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50103175
PNG
(CHEMBL71645 | N-Hydroxy-2-[(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-5-3-7-25(27(31)29-32)26(19)30(18-20-6-4-16-28-17-20)36(33,34)24-14-10-22(11-15-24)21-8-12-23(35-2)13-9-21/h3-17,32H,18H2,1-2H3,(H,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 18n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103175
PNG
(CHEMBL71645 | N-Hydroxy-2-[(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-5-3-7-25(27(31)29-32)26(19)30(18-20-6-4-16-28-17-20)36(33,34)24-14-10-22(11-15-24)21-8-12-23(35-2)13-9-21/h3-17,32H,18H2,1-2H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.27E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50103175
PNG
(CHEMBL71645 | N-Hydroxy-2-[(4'-methoxy-biphenyl-4-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C27H25N3O5S/c1-19-5-3-7-25(27(31)29-32)26(19)30(18-20-6-4-16-28-17-20)36(33,34)24-14-10-22(11-15-24)21-8-12-23(35-2)13-9-21/h3-17,32H,18H2,1-2H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.27E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair