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BDBM50346797 CHEMBL1795351

SMILES: CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO

InChI Key: InChIKey=YZKJTNXYLZWHHJ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50346797   
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-14 (MMP14)


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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PC cid
PC sid
UniChem
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n/an/a 79n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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PC sid
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n/an/a 34n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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n/an/a 46n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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PC sid
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n/an/a 200n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP8 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
PDB
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Reactome pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
More data for this
Ligand-Target Pair