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BDBM50346799 CHEMBL1795858

SMILES: CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO

InChI Key: InChIKey=ABUCHUKPMIVSQV-GDLZYMKVSA-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 = 50346799   
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))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 6.60E+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))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 50n/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))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 3.70E+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))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 340n/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))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 84n/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))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 440n/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))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 4n/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