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BDBM50098924 (R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide::CHEMBL269019

SMILES: COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO

InChI Key: InChIKey=RCXJWFMVFQBLSC-MRXNPFEDSA-N

Data: 8 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 8 hits for monomerid = 50098924   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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PubMed
n/an/a 465n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1009-13 (2001)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1009-13 (2001)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 776n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-7


Bioorg Med Chem Lett 11: 1009-13 (2001)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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Article
PubMed
n/an/a 0.708n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1009-13 (2001)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1009-13 (2001)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1009-13 (2001)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Collagenase 3


(Rattus norvegicus)
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair