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BDBM50137280 6-Benzyloxy-2-(2,5-dichloro-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid hydroxyamide::CHEMBL147604

SMILES: ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl

InChI Key: InChIKey=XLTGYQNRFLYPNU-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50137280   
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-14 (MMP14)


(Homo sapiens (Human))
BDBM50137280
PNG
(6-Benzyloxy-2-(2,5-dichloro-benzenesulfonyl)-1,2,3...)
Show SMILES ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O5S/c24-17-6-9-20(25)21(13-17)33(30,31)27-11-10-16-12-18(32-14-15-4-2-1-3-5-15)7-8-19(16)22(27)23(28)26-29/h1-9,12-13,22,29H,10-11,14H2,(H,26,28)
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PubMed
n/an/a 2.08E+4n/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-9


(Homo sapiens (Human))
BDBM50137280
PNG
(6-Benzyloxy-2-(2,5-dichloro-benzenesulfonyl)-1,2,3...)
Show SMILES ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O5S/c24-17-6-9-20(25)21(13-17)33(30,31)27-11-10-16-12-18(32-14-15-4-2-1-3-5-15)7-8-19(16)22(27)23(28)26-29/h1-9,12-13,22,29H,10-11,14H2,(H,26,28)
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n/an/a 3.12E+3n/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-12 (MMP12)


(Homo sapiens (Human))
BDBM50137280
PNG
(6-Benzyloxy-2-(2,5-dichloro-benzenesulfonyl)-1,2,3...)
Show SMILES ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O5S/c24-17-6-9-20(25)21(13-17)33(30,31)27-11-10-16-12-18(32-14-15-4-2-1-3-5-15)7-8-19(16)22(27)23(28)26-29/h1-9,12-13,22,29H,10-11,14H2,(H,26,28)
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n/an/a 931n/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
Matrix metalloproteinase 15


(Homo sapiens (Human))
BDBM50137280
PNG
(6-Benzyloxy-2-(2,5-dichloro-benzenesulfonyl)-1,2,3...)
Show SMILES ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O5S/c24-17-6-9-20(25)21(13-17)33(30,31)27-11-10-16-12-18(32-14-15-4-2-1-3-5-15)7-8-19(16)22(27)23(28)26-29/h1-9,12-13,22,29H,10-11,14H2,(H,26,28)
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n/an/a 7.30E+3n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50137280
PNG
(6-Benzyloxy-2-(2,5-dichloro-benzenesulfonyl)-1,2,3...)
Show SMILES ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O5S/c24-17-6-9-20(25)21(13-17)33(30,31)27-11-10-16-12-18(32-14-15-4-2-1-3-5-15)7-8-19(16)22(27)23(28)26-29/h1-9,12-13,22,29H,10-11,14H2,(H,26,28)
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n/an/a 1.10E+3n/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 16


(Homo sapiens (Human))
BDBM50137280
PNG
(6-Benzyloxy-2-(2,5-dichloro-benzenesulfonyl)-1,2,3...)
Show SMILES ONC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O5S/c24-17-6-9-20(25)21(13-17)33(30,31)27-11-10-16-12-18(32-14-15-4-2-1-3-5-15)7-8-19(16)22(27)23(28)26-29/h1-9,12-13,22,29H,10-11,14H2,(H,26,28)
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n/an/a 4.63E+3n/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