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1 similar compounds to monomer 50229336

Compile data set for download or QSAR
Wt: 551.5
BDBM50195921

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50195921   
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-12 (MMP12)


(Homo sapiens (Human))
BDBM50195921
PNG
(CHEMBL429112 | N-(2-methanesulfonyl-6,8,10-trioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)S(C)(=O)=O)c2ccccc2n1
Show InChI InChI=1/C26H25N5O7S/c1-15-11-17(19-5-3-4-6-20(19)27-15)13-38-18-9-7-16(8-10-18)22(32)28-21-12-31(39(2,36)37)14-26(21)23(33)29-25(35)30-24(26)34/h3-11,21H,12-14H2,1-2H3,(H,28,32)(H2,29,30,33,34,35)
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1.29E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50195921
PNG
(CHEMBL429112 | N-(2-methanesulfonyl-6,8,10-trioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)S(C)(=O)=O)c2ccccc2n1
Show InChI InChI=1/C26H25N5O7S/c1-15-11-17(19-5-3-4-6-20(19)27-15)13-38-18-9-7-16(8-10-18)22(32)28-21-12-31(39(2,36)37)14-26(21)23(33)29-25(35)30-24(26)34/h3-11,21H,12-14H2,1-2H3,(H,28,32)(H2,29,30,33,34,35)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50195921
PNG
(CHEMBL429112 | N-(2-methanesulfonyl-6,8,10-trioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)S(C)(=O)=O)c2ccccc2n1
Show InChI InChI=1/C26H25N5O7S/c1-15-11-17(19-5-3-4-6-20(19)27-15)13-38-18-9-7-16(8-10-18)22(32)28-21-12-31(39(2,36)37)14-26(21)23(33)29-25(35)30-24(26)34/h3-11,21H,12-14H2,1-2H3,(H,28,32)(H2,29,30,33,34,35)
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3.72E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50195921
PNG
(CHEMBL429112 | N-(2-methanesulfonyl-6,8,10-trioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)S(C)(=O)=O)c2ccccc2n1
Show InChI InChI=1/C26H25N5O7S/c1-15-11-17(19-5-3-4-6-20(19)27-15)13-38-18-9-7-16(8-10-18)22(32)28-21-12-31(39(2,36)37)14-26(21)23(33)29-25(35)30-24(26)34/h3-11,21H,12-14H2,1-2H3,(H,28,32)(H2,29,30,33,34,35)
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50195921
PNG
(CHEMBL429112 | N-(2-methanesulfonyl-6,8,10-trioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)S(C)(=O)=O)c2ccccc2n1
Show InChI InChI=1/C26H25N5O7S/c1-15-11-17(19-5-3-4-6-20(19)27-15)13-38-18-9-7-16(8-10-18)22(32)28-21-12-31(39(2,36)37)14-26(21)23(33)29-25(35)30-24(26)34/h3-11,21H,12-14H2,1-2H3,(H,28,32)(H2,29,30,33,34,35)
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50195921
PNG
(CHEMBL429112 | N-(2-methanesulfonyl-6,8,10-trioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)S(C)(=O)=O)c2ccccc2n1
Show InChI InChI=1/C26H25N5O7S/c1-15-11-17(19-5-3-4-6-20(19)27-15)13-38-18-9-7-16(8-10-18)22(32)28-21-12-31(39(2,36)37)14-26(21)23(33)29-25(35)30-24(26)34/h3-11,21H,12-14H2,1-2H3,(H,28,32)(H2,29,30,33,34,35)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair