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BDBM50311085 (1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfonamido)-2-methyl-3-phenylcyclopropanecarboxylic acid::CHEMBL1078279

SMILES: C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O

InChI Key: InChIKey=AHXGZLJBINZPQZ-DYHNYNMBSA-N

Data: 5 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 5 hits for monomerid = 50311085   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50311085
PNG
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 19: 6213-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50311085
PNG
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50311085
PNG
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50311085
PNG
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50311085
PNG
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair