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BDBM50090364 3-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl)-ethyl]-cyclohexanecarboxylic acid ethyl ester::CHEMBL40746

SMILES: CCOC(=O)C1CCCC(C1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=MACBSAQGLFHSQT-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50090364   
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
Collagenase


(homo sapiens (human))
BDBM50090364
PNG
(3-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl...)
Show SMILES CCOC(=O)C1CCCC(C1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H27NO7S/c1-3-27-19(22)14-6-4-5-13(11-14)17(12-18(21)20-23)28(24,25)16-9-7-15(26-2)8-10-16/h7-10,13-14,17,23H,3-6,11-12H2,1-2H3,(H,20,21)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-2.


Bioorg Med Chem Lett 10: 1637-40 (2000)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50090364
PNG
(3-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl...)
Show SMILES CCOC(=O)C1CCCC(C1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H27NO7S/c1-3-27-19(22)14-6-4-5-13(11-14)17(12-18(21)20-23)28(24,25)16-9-7-15(26-2)8-10-16/h7-10,13-14,17,23H,3-6,11-12H2,1-2H3,(H,20,21)
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Article
PubMed
60n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-3.


Bioorg Med Chem Lett 10: 1637-40 (2000)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50090364
PNG
(3-[2-Hydroxycarbamoyl-1-(4-methoxy-benzenesulfonyl...)
Show SMILES CCOC(=O)C1CCCC(C1)C(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C19H27NO7S/c1-3-27-19(22)14-6-4-5-13(11-14)17(12-18(21)20-23)28(24,25)16-9-7-15(26-2)8-10-16/h7-10,13-14,17,23H,3-6,11-12H2,1-2H3,(H,20,21)
PDB
MMDB

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PC sid
UniChem

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Article
PubMed
1.01E+3n/an/an/an/an/an/an/an/a



Rhone Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant Matrix metalloproteinase-1.


Bioorg Med Chem Lett 10: 1637-40 (2000)


Article DOI: 10.1016/s0960-894x(00)00285-7
BindingDB Entry DOI: 10.7270/Q20G3JDK
More data for this
Ligand-Target Pair