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BDBM50098294 6-Methoxy-2-(4'-methoxy-biphenyl-4-sulfonylamino)-hex-4-ynoic acid::CHEMBL274881

SMILES: COCC#CCC(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O

InChI Key: InChIKey=QJKGJGURDPRKGW-UHFFFAOYNA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50098294   
Target
(Institution)
LigandTarget
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
Stromelysin-1


(Homo sapiens (human))
BDBM50098294
PNG
(6-Methoxy-2-(4'-methoxy-biphenyl-4-sulfonylamino)-...)
Show SMILES COCC#CCC(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1/C20H21NO6S/c1-26-14-4-3-5-19(20(22)23)21-28(24,25)18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-13,19,21H,5,14H2,1-2H3,(H,22,23)
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PC sid
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PDB
Article
PubMed
n/an/a 4.09E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloproteinase-3 (MMP-3) (at pH 7.4)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(homo sapiens (human))
BDBM50098294
PNG
(6-Methoxy-2-(4'-methoxy-biphenyl-4-sulfonylamino)-...)
Show SMILES COCC#CCC(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1/C20H21NO6S/c1-26-14-4-3-5-19(20(22)23)21-28(24,25)18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-13,19,21H,5,14H2,1-2H3,(H,22,23)
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n/an/a 20n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase-2 (MMP-2) in quenched fluorescence assay at pH 7.4


Citation and Details
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-13 (MMP-13)


(Homo sapiens (human))
BDBM50098294
PNG
(6-Methoxy-2-(4'-methoxy-biphenyl-4-sulfonylamino)-...)
Show SMILES COCC#CCC(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1/C20H21NO6S/c1-26-14-4-3-5-19(20(22)23)21-28(24,25)18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-13,19,21H,5,14H2,1-2H3,(H,22,23)
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n/an/a 75.9n/an/an/an/an/an/a



gvk bioSciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human matrix metalloprotease-13


Citation and Details
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-13 (MMP-13)


(Homo sapiens (human))
BDBM50098294
PNG
(6-Methoxy-2-(4'-methoxy-biphenyl-4-sulfonylamino)-...)
Show SMILES COCC#CCC(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1/C20H21NO6S/c1-26-14-4-3-5-19(20(22)23)21-28(24,25)18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-13,19,21H,5,14H2,1-2H3,(H,22,23)
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n/an/a 76n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloproteinase-13 in quenched fluorescence assay at pH 7.4


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50098294
PNG
(6-Methoxy-2-(4'-methoxy-biphenyl-4-sulfonylamino)-...)
Show SMILES COCC#CCC(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1/C20H21NO6S/c1-26-14-4-3-5-19(20(22)23)21-28(24,25)18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-13,19,21H,5,14H2,1-2H3,(H,22,23)
PDB
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Article
PubMed
n/an/a 6.15E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloproteinase-1 in quenched fluorescence assay at pH 7.4


Citation and Details
More data for this
Ligand-Target Pair