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BDBM50197217 CHEMBL400206::N-(3-(1-tert-butylpiperidin-4-yl)-1-(4-((2-methylquinolin-4-yl)methoxy)phenylsulfonyl)propan-2-yl)-N-hydroxyformamide

SMILES: Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCN(CC2)C(C)(C)C)N(O)C=O)c2ccccc2n1

InChI Key: InChIKey=BUDIJDXJWOVXRJ-UHFFFAOYSA-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 = 50197217   
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))
BDBM50197217
PNG
(CHEMBL400206 | N-(3-(1-tert-butylpiperidin-4-yl)-1...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCN(CC2)C(C)(C)C)N(O)C=O)c2ccccc2n1 |w:16.16|
Show InChI InChI=1S/C30H39N3O5S/c1-22-17-24(28-7-5-6-8-29(28)31-22)19-38-26-9-11-27(12-10-26)39(36,37)20-25(33(35)21-34)18-23-13-15-32(16-14-23)30(2,3)4/h5-12,17,21,23,25,35H,13-16,18-20H2,1-4H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50197217
PNG
(CHEMBL400206 | N-(3-(1-tert-butylpiperidin-4-yl)-1...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCN(CC2)C(C)(C)C)N(O)C=O)c2ccccc2n1 |w:16.16|
Show InChI InChI=1S/C30H39N3O5S/c1-22-17-24(28-7-5-6-8-29(28)31-22)19-38-26-9-11-27(12-10-26)39(36,37)20-25(33(35)21-34)18-23-13-15-32(16-14-23)30(2,3)4/h5-12,17,21,23,25,35H,13-16,18-20H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50197217
PNG
(CHEMBL400206 | N-(3-(1-tert-butylpiperidin-4-yl)-1...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCN(CC2)C(C)(C)C)N(O)C=O)c2ccccc2n1 |w:16.16|
Show InChI InChI=1S/C30H39N3O5S/c1-22-17-24(28-7-5-6-8-29(28)31-22)19-38-26-9-11-27(12-10-26)39(36,37)20-25(33(35)21-34)18-23-13-15-32(16-14-23)30(2,3)4/h5-12,17,21,23,25,35H,13-16,18-20H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE in human whole blood assay


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50197217
PNG
(CHEMBL400206 | N-(3-(1-tert-butylpiperidin-4-yl)-1...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCN(CC2)C(C)(C)C)N(O)C=O)c2ccccc2n1 |w:16.16|
Show InChI InChI=1S/C30H39N3O5S/c1-22-17-24(28-7-5-6-8-29(28)31-22)19-38-26-9-11-27(12-10-26)39(36,37)20-25(33(35)21-34)18-23-13-15-32(16-14-23)30(2,3)4/h5-12,17,21,23,25,35H,13-16,18-20H2,1-4H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50197217
PNG
(CHEMBL400206 | N-(3-(1-tert-butylpiperidin-4-yl)-1...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCN(CC2)C(C)(C)C)N(O)C=O)c2ccccc2n1 |w:16.16|
Show InChI InChI=1S/C30H39N3O5S/c1-22-17-24(28-7-5-6-8-29(28)31-22)19-38-26-9-11-27(12-10-26)39(36,37)20-25(33(35)21-34)18-23-13-15-32(16-14-23)30(2,3)4/h5-12,17,21,23,25,35H,13-16,18-20H2,1-4H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 34-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.004
BindingDB Entry DOI: 10.7270/Q2862G2M
More data for this
Ligand-Target Pair