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6 similar compounds to monomer 50229337

Compile data set for download or QSAR
Wt: 477.5
BDBM26808
Wt: 475.5
BDBM26809
Wt: 475.5
BDBM26810
Wt: 449.4
BDBM50183715
Wt: 3462.1
BDBM50229334
Wt: 531.5
BDBM50229333

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 26808,26809,26810,50183715,50229334,50229333   
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
ADAM17


(Sus scrofa (pig))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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0.350n/an/an/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 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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0.350n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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25n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP7


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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82n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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82n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM26810
PNG
((5S,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27-/s2
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1.25E+3 -8.05n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM26809
PNG
((5R,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27+/s2
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1.36E+3 -8.00n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM26809
PNG
((5R,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27+/s2
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1.45E+3 -7.96n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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1.90E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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1.90E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ADAMTS5


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM26810
PNG
((5S,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27-/s2
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1.92E+3 -7.79n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/s2
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>2.13E+3>-7.73n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/s2
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


Bioorg Med Chem Lett 18: 694-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.059
BindingDB Entry DOI: 10.7270/Q2BV7HGG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>2.13E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/s2
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2.80E+3 -7.57n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/s2
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2.80E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


Bioorg Med Chem Lett 18: 694-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.059
BindingDB Entry DOI: 10.7270/Q2BV7HGG
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>3.10E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP8


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>3.10E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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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
Binding affinity to MMP2


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>3.33E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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4.60E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS4


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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4.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ADAMTS4


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/s2
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


Bioorg Med Chem Lett 18: 694-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.059
BindingDB Entry DOI: 10.7270/Q2BV7HGG
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM26809
PNG
((5R,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27+/s2
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>4.95E+3>-7.23n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM26810
PNG
((5S,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27-/s2
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>4.95E+3>-7.23n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/s2
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>4.95E+3>-7.23n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>4.95E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>5.03E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>5.29E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP14


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>5.29E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>5.55E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP16


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>5.55E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP16


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase 15


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>7.09E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP15


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase 15


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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>7.09E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP15


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
ADAMTS1


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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7.80E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ADAMTS1


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
ADAMTS1


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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7.80E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS1


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM26810
PNG
((5S,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27-/s2
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n/an/a 1n/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50229334
PNG
(CHEMBL3706385)
Show SMILES [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].OC1C(OS([O-])(=O)=O)[C@@H]2OC(CSCc3ccccc3)[C@H]1O[C@H]1OC(COS([O-])(=O)=O)[C@@H](O[C@H]3OC(CSCc4ccccc4)[C@@H](O[C@@H]4OC(COS([O-])(=O)=O)[C@@H](O[C@H]5OC(CSCc6ccccc6)[C@@H](O[C@H]6OC(COS([O-])(=O)=O)[C@@H](O[C@H]7OC(COS([O-])(=O)=O)[C@@H](O2)C(OS([O-])(=O)=O)C7OS([O-])(=O)=O)C(OS([O-])(=O)=O)C6OS([O-])(=O)=O)C(OS([O-])(=O)=O)C5OS([O-])(=O)=O)C(OS([O-])(=O)=O)C4OS([O-])(=O)=O)C(OS([O-])(=O)=O)C3OS([O-])(=O)=O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O
Show InChI InChI=1S/C63H88O83S20.17K/c64-36-37-33(23-147-20-26-10-4-1-5-11-26)124-57(44(36)134-154(77,78)79)128-38-29(16-116-150(65,66)67)121-59(52(142-162(101,102)103)45(38)135-155(80,81)82)129-39-31(18-118-152(71,72)73)122-60(53(143-163(104,105)106)47(39)137-157(86,87)88)132-42-35(25-149-22-28-14-8-3-9-15-28)126-63(56(146-166(113,114)115)50(42)140-160(95,96)97)131-41-32(19-119-153(74,75)76)123-61(54(144-164(107,108)109)48(41)138-158(89,90)91)133-43-34(24-148-21-27-12-6-2-7-13-27)125-62(55(145-165(110,111)112)49(43)139-159(92,93)94)130-40-30(17-117-151(68,69)70)120-58(127-37)51(141-161(98,99)100)46(40)136-156(83,84)85;;;;;;;;;;;;;;;;;/h1-15,29-64H,16-25H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)(H,113,114,115);;;;;;;;;;;;;;;;;/q;17*+1/p-17/t29?,30?,31?,32?,33?,34?,35?,36?,37-,38-,39-,40-,41-,42-,43-,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57-,58-,59-,60-,61+,62-,63-;;;;;;;;;;;;;;;;;/m1................./s1
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n/an/a 630n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its direct effect on cell-free reverse transcriptase (RT) activity of HIV-1 (LAV-1)


J Med Chem 34: 2301-4 (1991)


Article DOI: 10.1021/jm00111a055
BindingDB Entry DOI: 10.7270/Q23X88WV
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/s2
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


Bioorg Med Chem Lett 18: 694-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.059
BindingDB Entry DOI: 10.7270/Q2BV7HGG
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50183715
PNG
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29)
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNFalpha production in human whole blood


Bioorg Med Chem Lett 16: 2699-704 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM26808
PNG
((7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4-yl...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1
Show InChI InChI=1/C26H27N3O6/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-8-6-17(7-9-19)24(30)28-23-14-26(34-10-11-35-26)13-21(23)25(31)29-32/h2-9,12,21,23,32H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)/t21-,23+/s2
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n/an/a 1n/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229333
PNG
(CHEMBL73692)
Show SMILES CCO\C(O)=C1\C(C(C#N)=C(C)N=C1C[S+]([O-])c1ccc(NC(C)=O)cc1)c1ccccc1C(F)(F)F
Show InChI InChI=1/C26H24F3N3O4S/c1-4-36-25(34)24-22(14-37(35)18-11-9-17(10-12-18)32-16(3)33)31-15(2)20(13-30)23(24)19-7-5-6-8-21(19)26(27,28)29/h5-12,23,34H,4,14H2,1-3H3,(H,32,33)/b25-24+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
BindingDB Entry DOI: 10.7270/Q27P91MK
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM26809
PNG
((5R,7S,8R)-7-N-hydroxy-8-N-{4-[(2-methylquinolin-4...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1/C27H29N3O5/c1-17-13-19(21-5-2-3-6-23(21)28-17)16-34-20-9-7-18(8-10-20)25(31)29-24-15-27(11-4-12-35-27)14-22(24)26(32)30-33/h2-3,5-10,13,22,24,33H,4,11-12,14-16H2,1H3,(H,29,31)(H,30,32)/t22-,24+,27+/s2
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n/an/a 1n/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1288-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.030
BindingDB Entry DOI: 10.7270/Q2BV7DX2
More data for this
Ligand-Target Pair