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BDBM50346798 CHEMBL1795857

SMILES: CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO

InChI Key: InChIKey=VZNWQFCLBMVARX-SSEXGKCCSA-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 = 50346798   
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))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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PC sid
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n/an/a 2.10E+3n/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))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 63n/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))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 4.80E+3n/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))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 38n/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))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 180n/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))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 490n/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))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 2.30n/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