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SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO

InChI Key: InChIKey=YDSGUUACYYBPLW-GDLZYMKVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50389106   
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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389106
PNG
(CHEMBL2064542)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/m1/s1
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Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50389106
PNG
(CHEMBL2064542)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/m1/s1
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Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50389106
PNG
(CHEMBL2064542)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/m1/s1
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Article
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n/an/a 0.0900n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50389106
PNG
(CHEMBL2064542)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCC#C)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C30H42N2O10S/c1-5-14-38-15-16-39-17-18-40-19-20-41-21-22-42-27-8-6-25(7-9-27)23-32(29(24(2)3)30(33)31-34)43(35,36)28-12-10-26(37-4)11-13-28/h1,6-13,24,29,34H,14-23H2,2-4H3,(H,31,33)/t29-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.370n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair