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BDBM50128607 5-Methyl-2-(3-methyl-but-2-enyl)-2-(toluene-4-sulfonyl)-hex-4-enoic acid hydroxyamide::CHEMBL76619

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](/[#6])-[#6])([#6](=O)-[#7]-[#8])S(=O)(=O)c1ccc(-[#6])cc1

InChI Key: InChIKey=PPTJZFSGDMWVFF-UHFFFAOYSA-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 = 50128607   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128607
PNG
(5-Methyl-2-(3-methyl-but-2-enyl)-2-(toluene-4-sulf...)
Show SMILES CC(C)=CCC(CC=C(C)C)(C(=O)NO)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H27NO4S/c1-14(2)10-12-19(18(21)20-22,13-11-15(3)4)25(23,24)17-8-6-16(5)7-9-17/h6-11,22H,12-13H2,1-5H3,(H,20,21)
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Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-9


J Med Chem 46: 2361-75 (2003)


Article DOI: 10.1021/jm0205548
BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50128607
PNG
(5-Methyl-2-(3-methyl-but-2-enyl)-2-(toluene-4-sulf...)
Show SMILES CC(C)=CCC(CC=C(C)C)(C(=O)NO)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H27NO4S/c1-14(2)10-12-19(18(21)20-22,13-11-15(3)4)25(23,24)17-8-6-16(5)7-9-17/h6-11,22H,12-13H2,1-5H3,(H,20,21)
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-13


J Med Chem 46: 2361-75 (2003)


Article DOI: 10.1021/jm0205548
BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50128607
PNG
(5-Methyl-2-(3-methyl-but-2-enyl)-2-(toluene-4-sulf...)
Show SMILES CC(C)=CCC(CC=C(C)C)(C(=O)NO)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H27NO4S/c1-14(2)10-12-19(18(21)20-22,13-11-15(3)4)25(23,24)17-8-6-16(5)7-9-17/h6-11,22H,12-13H2,1-5H3,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 262n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-1


J Med Chem 46: 2361-75 (2003)


Article DOI: 10.1021/jm0205548
BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
More data for this
Ligand-Target Pair