BindingDB logo
myBDB logout

BDBM50126627 4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-8-vinyl-quinoline-3-carboxylic acid hydroxyamide::CHEMBL38106::N-hydroxy-4-(4-methoxy-N-methylphenylsulfonamido)-8-vinylquinoline-3-carboxamide

SMILES: COc1ccc(cc1)S(=O)(=O)N(C)c1c(cnc2c(C=C)cccc12)C(=O)NO

InChI Key: InChIKey=JXIIDVGEPSOIKK-UHFFFAOYSA-N

Data: 5 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 = 50126627   
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))
BDBM50126627
PNG
(4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-8-vin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(cnc2c(C=C)cccc12)C(=O)NO
Show InChI InChI=1S/C20H19N3O5S/c1-4-13-6-5-7-16-18(13)21-12-17(20(24)22-25)19(16)23(2)29(26,27)15-10-8-14(28-3)9-11-15/h4-12,25H,1H2,2-3H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 9 (MMP-9).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50126627
PNG
(4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-8-vin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(cnc2c(C=C)cccc12)C(=O)NO
Show InChI InChI=1S/C20H19N3O5S/c1-4-13-6-5-7-16-18(13)21-12-17(20(24)22-25)19(16)23(2)29(26,27)15-10-8-14(28-3)9-11-15/h4-12,25H,1H2,2-3H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 205n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against TACE.


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50126627
PNG
(4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-8-vin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(cnc2c(C=C)cccc12)C(=O)NO
Show InChI InChI=1S/C20H19N3O5S/c1-4-13-6-5-7-16-18(13)21-12-17(20(24)22-25)19(16)23(2)29(26,27)15-10-8-14(28-3)9-11-15/h4-12,25H,1H2,2-3H3,(H,22,24)
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 200n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50126627
PNG
(4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-8-vin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(cnc2c(C=C)cccc12)C(=O)NO
Show InChI InChI=1S/C20H19N3O5S/c1-4-13-6-5-7-16-18(13)21-12-17(20(24)22-25)19(16)23(2)29(26,27)15-10-8-14(28-3)9-11-15/h4-12,25H,1H2,2-3H3,(H,22,24)
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 5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50126627
PNG
(4-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-8-vin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(cnc2c(C=C)cccc12)C(=O)NO
Show InChI InChI=1S/C20H19N3O5S/c1-4-13-6-5-7-16-18(13)21-12-17(20(24)22-25)19(16)23(2)29(26,27)15-10-8-14(28-3)9-11-15/h4-12,25H,1H2,2-3H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 200n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 1 (MMP-1).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair