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SMILES: CCCC(C)(C)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO

InChI Key: InChIKey=NVZOQOOLHGCJGV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50343057   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343057
PNG
(4-(4-(3-(2,2-dimethylpentanamido)propoxy)phenylsul...)
Show SMILES CCCC(C)(C)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H34N2O7S/c1-4-10-21(2,3)19(25)23-13-5-14-31-17-6-8-18(9-7-17)32(28,29)22(20(26)24-27)11-15-30-16-12-22/h6-9,27H,4-5,10-16H2,1-3H3,(H,23,25)(H,24,26)
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Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343057
PNG
(4-(4-(3-(2,2-dimethylpentanamido)propoxy)phenylsul...)
Show SMILES CCCC(C)(C)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H34N2O7S/c1-4-10-21(2,3)19(25)23-13-5-14-31-17-6-8-18(9-7-17)32(28,29)22(20(26)24-27)11-15-30-16-12-22/h6-9,27H,4-5,10-16H2,1-3H3,(H,23,25)(H,24,26)
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Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50343057
PNG
(4-(4-(3-(2,2-dimethylpentanamido)propoxy)phenylsul...)
Show SMILES CCCC(C)(C)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H34N2O7S/c1-4-10-21(2,3)19(25)23-13-5-14-31-17-6-8-18(9-7-17)32(28,29)22(20(26)24-27)11-15-30-16-12-22/h6-9,27H,4-5,10-16H2,1-3H3,(H,23,25)(H,24,26)
PDB
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair