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BDBM50137281 2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydroxyamide::CHEMBL148171::N,6-dihydroxy-7-methoxy-2-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

SMILES: COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO

InChI Key: InChIKey=JOGYGVFUVCZABB-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50137281   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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n/an/a 100n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9 (MMP-9)

Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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n/an/a 867n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-14 (MMP-14)

Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair
Matrix metalloproteinase 15


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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n/an/a 29n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-15 (MMP-15)

Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair
Matrix metalloproteinase 26


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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n/an/a 146n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-26 (MMP-26)

Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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Article
PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP7

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
Interstitial collagenase


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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n/an/a 595n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1 (MMP-1)

Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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n/an/a 65n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-12 (MMP-12)

Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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n/an/a 27n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2 (MMP-2)

Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-7 (MMP-7)

Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))		BDBM50137281
PNG
(2-Benzenesulfonyl-6-hydroxy-7-methoxy-1,2,3,4-tetr...)
Show SMILES COc1cc2C(N(CCc2cc1O)S(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H18N2O6S/c1-25-15-10-13-11(9-14(15)20)7-8-19(16(13)17(21)18-22)26(23,24)12-5-3-2-4-6-12/h2-6,9-10,16,20,22H,7-8H2,1H3,(H,18,21)
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n/an/a 40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-16 (MMP-16)

Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair