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PubMed code 18282708

Compile data set for download or QSAR
Found 80 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26567
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H28N2O5/c1-15(2)23-19(18-5-3-4-6-22(18)32-23)13-16-7-9-17(10-8-16)24(28)26-21-11-12-31-14-20(21)25(29)27-30/h3-10,15,20-21,30H,11-14H2,1-2H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
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 10n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26565
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H23N3O4/c1-13-17(16-4-2-3-5-20(16)29-13)10-14-6-8-15(9-7-14)21(26)24-19-12-23-11-18(19)22(27)25-28/h2-9,18-19,23,28H,10-12H2,1H3,(H,24,26)(H,25,27)/t18-,19+/m0/s1
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 43n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26564
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H24N2O5/c1-14-18(17-4-2-3-5-21(17)30-14)12-15-6-8-16(9-7-15)22(26)24-20-10-11-29-13-19(20)23(27)25-28/h2-9,19-20,28H,10-13H2,1H3,(H,24,26)(H,25,27)/t19-,20+/m0/s1
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 53n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26562
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H25N3O4/c1-14-18(17-4-2-3-5-20(17)24-14)12-15-6-8-16(9-7-15)22(27)25-21-10-11-30-13-19(21)23(28)26-29/h2-9,19,21,24,29H,10-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
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 65n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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 70n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26566
PNG
((3S,4S)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-14(2)22-18(17-5-3-4-6-21(17)31-22)11-15-7-9-16(10-8-15)23(28)26-20-13-25-12-19(20)24(29)27-30/h3-10,14,19-20,25,30H,11-13H2,1-2H3,(H,26,28)(H,27,29)/t19-,20+/m0/s1
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 85n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26563
PNG
((3R,4R)-4-N-{4-[(2-ethyl-1H-indol-3-yl)methyl]benz...)
Show SMILES CCc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-2-20-18(17-5-3-4-6-21(17)25-20)13-15-7-9-16(10-8-15)23(28)26-22-11-12-31-14-19(22)24(29)27-30/h3-10,19,22,25,30H,2,11-14H2,1H3,(H,26,28)(H,27,29)/t19-,22+/m0/s1
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 107n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26573
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)pyrazo...)
Show SMILES CC(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-18(21-5-3-4-11-28(21)26-22)13-16-6-8-17(9-7-16)23(29)25-20-10-12-32-14-19(20)24(30)27-31/h3-9,11,15,19-20,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t19-,20+/m0/s1
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 119n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26560
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O3/c1-13-17(16-4-2-3-5-19(16)24-13)10-14-6-8-15(9-7-14)21(27)25-20-12-23-11-18(20)22(28)26-29/h2-9,18,20,23-24,29H,10-12H2,1H3,(H,25,27)(H,26,28)/t18-,20+/m0/s1
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 160n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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 311n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26572
PNG
((3R,4R)-4-N-[4-({2-ethylpyrazolo[1,5-a]pyridin-3-y...)
Show SMILES CCc1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H26N4O4/c1-2-19-17(21-5-3-4-11-27(21)25-19)13-15-6-8-16(9-7-15)22(28)24-20-10-12-31-14-18(20)23(29)26-30/h3-9,11,18,20,30H,2,10,12-14H2,1H3,(H,24,28)(H,26,29)/t18-,20+/m0/s1
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 327n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26570
PNG
((3R,4R)-4-N-[4-({2-cyclopropylimidazo[1,2-a]pyridi...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C2CC2)cc1 |r|
Show InChI InChI=1S/C24H26N4O4/c29-23(25-19-10-12-32-14-18(19)24(30)27-31)17-6-4-15(5-7-17)13-20-22(16-8-9-16)26-21-3-1-2-11-28(20)21/h1-7,11,16,18-19,31H,8-10,12-14H2,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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 540n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26569
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)imidaz...)
Show SMILES CC(C)c1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-20(28-11-4-3-5-21(28)26-22)13-16-6-8-17(9-7-16)23(29)25-19-10-12-32-14-18(19)24(30)27-31/h3-9,11,15,18-19,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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 580n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26565
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H23N3O4/c1-13-17(16-4-2-3-5-20(16)29-13)10-14-6-8-15(9-7-14)21(26)24-19-12-23-11-18(19)22(27)25-28/h2-9,18-19,23,28H,10-12H2,1H3,(H,24,26)(H,25,27)/t18-,19+/m0/s1
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 627n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26574
PNG
((3R,4R)-4-N-[4-({2-tert-butylpyrazolo[1,5-a]pyridi...)
Show SMILES CC(C)(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)22-18(21-6-4-5-12-29(21)27-22)14-16-7-9-17(10-8-16)23(30)26-20-11-13-33-15-19(20)24(31)28-32/h4-10,12,19-20,32H,11,13-15H2,1-3H3,(H,26,30)(H,28,31)/t19-,20+/m0/s1
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 726n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26567
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H28N2O5/c1-15(2)23-19(18-5-3-4-6-22(18)32-23)13-16-7-9-17(10-8-16)24(28)26-21-11-12-31-14-20(21)25(29)27-30/h3-10,15,20-21,30H,11-14H2,1-2H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
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 766n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26567
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H28N2O5/c1-15(2)23-19(18-5-3-4-6-22(18)32-23)13-16-7-9-17(10-8-16)24(28)26-21-11-12-31-14-20(21)25(29)27-30/h3-10,15,20-21,30H,11-14H2,1-2H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
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 811n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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 852n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26568
PNG
((3R,4R)-3-N-hydroxy-4-N-[4-({2-methylimidazo[1,2-a...)
Show SMILES Cc1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-19(26-10-3-2-4-20(26)23-14)12-15-5-7-16(8-6-15)21(27)24-18-9-11-30-13-17(18)22(28)25-29/h2-8,10,17-18,29H,9,11-13H2,1H3,(H,24,27)(H,25,28)/t17-,18+/m0/s1
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 1.02E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26564
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H24N2O5/c1-14-18(17-4-2-3-5-21(17)30-14)12-15-6-8-16(9-7-15)22(26)24-20-10-11-29-13-19(20)23(27)25-28/h2-9,19-20,28H,10-13H2,1H3,(H,24,26)(H,25,27)/t19-,20+/m0/s1
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 1.12E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26565
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H23N3O4/c1-13-17(16-4-2-3-5-20(16)29-13)10-14-6-8-15(9-7-14)21(26)24-19-12-23-11-18(19)22(27)25-28/h2-9,18-19,23,28H,10-12H2,1H3,(H,24,26)(H,25,27)/t18-,19+/m0/s1
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 1.15E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26560
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O3/c1-13-17(16-4-2-3-5-19(16)24-13)10-14-6-8-15(9-7-14)21(27)25-20-12-23-11-18(20)22(28)26-29/h2-9,18,20,23-24,29H,10-12H2,1H3,(H,25,27)(H,26,28)/t18-,20+/m0/s1
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 1.34E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26565
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H23N3O4/c1-13-17(16-4-2-3-5-20(16)29-13)10-14-6-8-15(9-7-14)21(26)24-19-12-23-11-18(19)22(27)25-28/h2-9,18-19,23,28H,10-12H2,1H3,(H,24,26)(H,25,27)/t18-,19+/m0/s1
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 1.37E+3 -33.5n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26562
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H25N3O4/c1-14-18(17-4-2-3-5-20(17)24-14)12-15-6-8-16(9-7-15)22(27)25-21-10-11-30-13-19(21)23(28)26-29/h2-9,19,21,24,29H,10-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
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 1.53E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26573
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)pyrazo...)
Show SMILES CC(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-18(21-5-3-4-11-28(21)26-22)13-16-6-8-17(9-7-16)23(29)25-20-10-12-32-14-19(20)24(30)27-31/h3-9,11,15,19-20,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t19-,20+/m0/s1
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 2.65E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26566
PNG
((3S,4S)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-14(2)22-18(17-5-3-4-6-21(17)31-22)11-15-7-9-16(10-8-15)23(28)26-20-13-25-12-19(20)24(29)27-30/h3-10,14,19-20,25,30H,11-13H2,1-2H3,(H,26,28)(H,27,29)/t19-,20+/m0/s1
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 2.72E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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 2.93E+3 -31.6n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26560
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O3/c1-13-17(16-4-2-3-5-19(16)24-13)10-14-6-8-15(9-7-14)21(27)25-20-12-23-11-18(20)22(28)26-29/h2-9,18,20,23-24,29H,10-12H2,1H3,(H,25,27)(H,26,28)/t18-,20+/m0/s1
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 2.97E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26563
PNG
((3R,4R)-4-N-{4-[(2-ethyl-1H-indol-3-yl)methyl]benz...)
Show SMILES CCc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-2-20-18(17-5-3-4-6-21(17)25-20)13-15-7-9-16(10-8-15)23(28)26-22-11-12-31-14-19(22)24(29)27-30/h3-10,19,22,25,30H,2,11-14H2,1H3,(H,26,28)(H,27,29)/t19-,22+/m0/s1
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 2.99E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26563
PNG
((3R,4R)-4-N-{4-[(2-ethyl-1H-indol-3-yl)methyl]benz...)
Show SMILES CCc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-2-20-18(17-5-3-4-6-21(17)25-20)13-15-7-9-16(10-8-15)23(28)26-22-11-12-31-14-19(22)24(29)27-30/h3-10,19,22,25,30H,2,11-14H2,1H3,(H,26,28)(H,27,29)/t19-,22+/m0/s1
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 3.06E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26571
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1
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 3.25E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26563
PNG
((3R,4R)-4-N-{4-[(2-ethyl-1H-indol-3-yl)methyl]benz...)
Show SMILES CCc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-2-20-18(17-5-3-4-6-21(17)25-20)13-15-7-9-16(10-8-15)23(28)26-22-11-12-31-14-19(22)24(29)27-30/h3-10,19,22,25,30H,2,11-14H2,1H3,(H,26,28)(H,27,29)/t19-,22+/m0/s1
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 3.30E+3 -31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26573
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)pyrazo...)
Show SMILES CC(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-18(21-5-3-4-11-28(21)26-22)13-16-6-8-17(9-7-16)23(29)25-20-10-12-32-14-19(20)24(30)27-31/h3-9,11,15,19-20,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t19-,20+/m0/s1
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 3.31E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26572
PNG
((3R,4R)-4-N-[4-({2-ethylpyrazolo[1,5-a]pyridin-3-y...)
Show SMILES CCc1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H26N4O4/c1-2-19-17(21-5-3-4-11-27(21)25-19)13-15-6-8-16(9-7-15)22(28)24-20-10-12-31-14-18(20)23(29)26-30/h3-9,11,18,20,30H,2,10,12-14H2,1H3,(H,24,28)(H,26,29)/t18-,20+/m0/s1
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 3.31E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26564
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H24N2O5/c1-14-18(17-4-2-3-5-21(17)30-14)12-15-6-8-16(9-7-15)22(26)24-20-10-11-29-13-19(20)23(27)25-28/h2-9,19-20,28H,10-13H2,1H3,(H,24,26)(H,25,27)/t19-,20+/m0/s1
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 3.31E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26562
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H25N3O4/c1-14-18(17-4-2-3-5-20(17)24-14)12-15-6-8-16(9-7-15)22(27)25-21-10-11-30-13-19(21)23(28)26-29/h2-9,19,21,24,29H,10-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26574
PNG
((3R,4R)-4-N-[4-({2-tert-butylpyrazolo[1,5-a]pyridi...)
Show SMILES CC(C)(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)22-18(21-6-4-5-12-29(21)27-22)14-16-7-9-17(10-8-16)23(30)26-20-11-13-33-15-19(20)24(31)28-32/h4-10,12,19-20,32H,11,13-15H2,1-3H3,(H,26,30)(H,28,31)/t19-,20+/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26572
PNG
((3R,4R)-4-N-[4-({2-ethylpyrazolo[1,5-a]pyridin-3-y...)
Show SMILES CCc1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H26N4O4/c1-2-19-17(21-5-3-4-11-27(21)25-19)13-15-6-8-16(9-7-15)22(28)24-20-10-12-31-14-18(20)23(29)26-30/h3-9,11,18,20,30H,2,10,12-14H2,1H3,(H,24,28)(H,26,29)/t18-,20+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26573
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)pyrazo...)
Show SMILES CC(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-18(21-5-3-4-11-28(21)26-22)13-16-6-8-17(9-7-16)23(29)25-20-10-12-32-14-19(20)24(30)27-31/h3-9,11,15,19-20,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t19-,20+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26569
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)imidaz...)
Show SMILES CC(C)c1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-20(28-11-4-3-5-21(28)26-22)13-16-6-8-17(9-7-16)23(29)25-19-10-12-32-14-18(19)24(30)27-31/h3-9,11,15,18-19,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26564
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H24N2O5/c1-14-18(17-4-2-3-5-21(17)30-14)12-15-6-8-16(9-7-15)22(26)24-20-10-11-29-13-19(20)23(27)25-28/h2-9,19-20,28H,10-13H2,1H3,(H,24,26)(H,25,27)/t19-,20+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26567
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H28N2O5/c1-15(2)23-19(18-5-3-4-6-22(18)32-23)13-16-7-9-17(10-8-16)24(28)26-21-11-12-31-14-20(21)25(29)27-30/h3-10,15,20-21,30H,11-14H2,1-2H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26570
PNG
((3R,4R)-4-N-[4-({2-cyclopropylimidazo[1,2-a]pyridi...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C2CC2)cc1 |r|
Show InChI InChI=1S/C24H26N4O4/c29-23(25-19-10-12-32-14-18(19)24(30)27-31)17-6-4-15(5-7-17)13-20-22(16-8-9-16)26-21-3-1-2-11-28(20)21/h1-7,11,16,18-19,31H,8-10,12-14H2,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26571
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26575
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nn3ccccc23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-15(18-3-1-2-9-29(18)27-19)11-13-4-6-14(7-5-13)20(30)26-17-8-10-33-12-16(17)21(31)28-32/h1-7,9,16-17,32H,8,10-12H2,(H,26,30)(H,28,31)/t16-,17+/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26568
PNG
((3R,4R)-3-N-hydroxy-4-N-[4-({2-methylimidazo[1,2-a...)
Show SMILES Cc1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-19(26-10-3-2-4-20(26)23-14)12-15-5-7-16(8-6-15)21(27)24-18-9-11-30-13-17(18)22(28)25-29/h2-8,10,17-18,29H,9,11-13H2,1H3,(H,24,27)(H,25,28)/t17-,18+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26566
PNG
((3S,4S)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-14(2)22-18(17-5-3-4-6-21(17)31-22)11-15-7-9-16(10-8-15)23(28)26-20-13-25-12-19(20)24(29)27-30/h3-10,14,19-20,25,30H,11-13H2,1-2H3,(H,26,28)(H,27,29)/t19-,20+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM26560
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O3/c1-13-17(16-4-2-3-5-19(16)24-13)10-14-6-8-15(9-7-14)21(27)25-20-12-23-11-18(20)22(28)26-29/h2-9,18,20,23-24,29H,10-12H2,1H3,(H,25,27)(H,26,28)/t18-,20+/m0/s1
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>3.33E+3>-31.3n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26562
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H25N3O4/c1-14-18(17-4-2-3-5-20(17)24-14)12-15-6-8-16(9-7-15)22(27)25-21-10-11-30-13-19(21)23(28)26-29/h2-9,19,21,24,29H,10-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
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 3.69E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26568
PNG
((3R,4R)-3-N-hydroxy-4-N-[4-({2-methylimidazo[1,2-a...)
Show SMILES Cc1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-19(26-10-3-2-4-20(26)23-14)12-15-5-7-16(8-6-15)21(27)24-18-9-11-30-13-17(18)22(28)25-29/h2-8,10,17-18,29H,9,11-13H2,1H3,(H,24,27)(H,25,28)/t17-,18+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26570
PNG
((3R,4R)-4-N-[4-({2-cyclopropylimidazo[1,2-a]pyridi...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C2CC2)cc1 |r|
Show InChI InChI=1S/C24H26N4O4/c29-23(25-19-10-12-32-14-18(19)24(30)27-31)17-6-4-15(5-7-17)13-20-22(16-8-9-16)26-21-3-1-2-11-28(20)21/h1-7,11,16,18-19,31H,8-10,12-14H2,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26574
PNG
((3R,4R)-4-N-[4-({2-tert-butylpyrazolo[1,5-a]pyridi...)
Show SMILES CC(C)(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)22-18(21-6-4-5-12-29(21)27-22)14-16-7-9-17(10-8-16)23(30)26-20-11-13-33-15-19(20)24(31)28-32/h4-10,12,19-20,32H,11,13-15H2,1-3H3,(H,26,30)(H,28,31)/t19-,20+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26569
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)imidaz...)
Show SMILES CC(C)c1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-20(28-11-4-3-5-21(28)26-22)13-16-6-8-17(9-7-16)23(29)25-19-10-12-32-14-18(19)24(30)27-31/h3-9,11,15,18-19,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26575
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nn3ccccc23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-15(18-3-1-2-9-29(18)27-19)11-13-4-6-14(7-5-13)20(30)26-17-8-10-33-12-16(17)21(31)28-32/h1-7,9,16-17,32H,8,10-12H2,(H,26,30)(H,28,31)/t16-,17+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM26571
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))		BDBM26575
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nn3ccccc23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-15(18-3-1-2-9-29(18)27-19)11-13-4-6-14(7-5-13)20(30)26-17-8-10-33-12-16(17)21(31)28-32/h1-7,9,16-17,32H,8,10-12H2,(H,26,30)(H,28,31)/t16-,17+/m0/s1
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>6.02E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26568
PNG
((3R,4R)-3-N-hydroxy-4-N-[4-({2-methylimidazo[1,2-a...)
Show SMILES Cc1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-19(26-10-3-2-4-20(26)23-14)12-15-5-7-16(8-6-15)21(27)24-18-9-11-30-13-17(18)22(28)25-29/h2-8,10,17-18,29H,9,11-13H2,1H3,(H,24,27)(H,25,28)/t17-,18+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26575
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nn3ccccc23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-15(18-3-1-2-9-29(18)27-19)11-13-4-6-14(7-5-13)20(30)26-17-8-10-33-12-16(17)21(31)28-32/h1-7,9,16-17,32H,8,10-12H2,(H,26,30)(H,28,31)/t16-,17+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26570
PNG
((3R,4R)-4-N-[4-({2-cyclopropylimidazo[1,2-a]pyridi...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C2CC2)cc1 |r|
Show InChI InChI=1S/C24H26N4O4/c29-23(25-19-10-12-32-14-18(19)24(30)27-31)17-6-4-15(5-7-17)13-20-22(16-8-9-16)26-21-3-1-2-11-28(20)21/h1-7,11,16,18-19,31H,8-10,12-14H2,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26572
PNG
((3R,4R)-4-N-[4-({2-ethylpyrazolo[1,5-a]pyridin-3-y...)
Show SMILES CCc1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H26N4O4/c1-2-19-17(21-5-3-4-11-27(21)25-19)13-15-6-8-16(9-7-15)22(28)24-20-10-12-31-14-18(20)23(29)26-30/h3-9,11,18,20,30H,2,10,12-14H2,1H3,(H,24,28)(H,26,29)/t18-,20+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26569
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)imidaz...)
Show SMILES CC(C)c1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-20(28-11-4-3-5-21(28)26-22)13-16-6-8-17(9-7-16)23(29)25-19-10-12-32-14-18(19)24(30)27-31/h3-9,11,15,18-19,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26571
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26574
PNG
((3R,4R)-4-N-[4-({2-tert-butylpyrazolo[1,5-a]pyridi...)
Show SMILES CC(C)(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)22-18(21-6-4-5-12-29(21)27-22)14-16-7-9-17(10-8-16)23(30)26-20-11-13-33-15-19(20)24(31)28-32/h4-10,12,19-20,32H,11,13-15H2,1-3H3,(H,26,30)(H,28,31)/t19-,20+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))		BDBM26566
PNG
((3S,4S)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-14(2)22-18(17-5-3-4-6-21(17)31-22)11-15-7-9-16(10-8-15)23(28)26-20-13-25-12-19(20)24(29)27-30/h3-10,14,19-20,25,30H,11-13H2,1-2H3,(H,26,28)(H,27,29)/t19-,20+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26568
PNG
((3R,4R)-3-N-hydroxy-4-N-[4-({2-methylimidazo[1,2-a...)
Show SMILES Cc1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-19(26-10-3-2-4-20(26)23-14)12-15-5-7-16(8-6-15)21(27)24-18-9-11-30-13-17(18)22(28)25-29/h2-8,10,17-18,29H,9,11-13H2,1H3,(H,24,27)(H,25,28)/t17-,18+/m0/s1
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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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26575
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nn3ccccc23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-15(18-3-1-2-9-29(18)27-19)11-13-4-6-14(7-5-13)20(30)26-17-8-10-33-12-16(17)21(31)28-32/h1-7,9,16-17,32H,8,10-12H2,(H,26,30)(H,28,31)/t16-,17+/m0/s1
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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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26563
PNG
((3R,4R)-4-N-{4-[(2-ethyl-1H-indol-3-yl)methyl]benz...)
Show SMILES CCc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-2-20-18(17-5-3-4-6-21(17)25-20)13-15-7-9-16(10-8-15)23(28)26-22-11-12-31-14-19(22)24(29)27-30/h3-10,19,22,25,30H,2,11-14H2,1H3,(H,26,28)(H,27,29)/t19-,22+/m0/s1
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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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26570
PNG
((3R,4R)-4-N-[4-({2-cyclopropylimidazo[1,2-a]pyridi...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C2CC2)cc1 |r|
Show InChI InChI=1S/C24H26N4O4/c29-23(25-19-10-12-32-14-18(19)24(30)27-31)17-6-4-15(5-7-17)13-20-22(16-8-9-16)26-21-3-1-2-11-28(20)21/h1-7,11,16,18-19,31H,8-10,12-14H2,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26565
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H23N3O4/c1-13-17(16-4-2-3-5-20(16)29-13)10-14-6-8-15(9-7-14)21(26)24-19-12-23-11-18(19)22(27)25-28/h2-9,18-19,23,28H,10-12H2,1H3,(H,24,26)(H,25,27)/t18-,19+/m0/s1
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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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26571
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1
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n/an/a 1.5n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26564
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1-benzofuran...)
Show SMILES Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H24N2O5/c1-14-18(17-4-2-3-5-21(17)30-14)12-15-6-8-16(9-7-15)22(26)24-20-10-11-29-13-19(20)23(27)25-28/h2-9,19-20,28H,10-13H2,1H3,(H,24,26)(H,25,27)/t19-,20+/m0/s1
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n/an/a 1.60n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26573
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)pyrazo...)
Show SMILES CC(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-18(21-5-3-4-11-28(21)26-22)13-16-6-8-17(9-7-16)23(29)25-20-10-12-32-14-19(20)24(30)27-31/h3-9,11,15,19-20,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t19-,20+/m0/s1
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n/an/a 1.70n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26566
PNG
((3S,4S)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H27N3O4/c1-14(2)22-18(17-5-3-4-6-21(17)31-22)11-15-7-9-16(10-8-15)23(28)26-20-13-25-12-19(20)24(29)27-30/h3-10,14,19-20,25,30H,11-13H2,1-2H3,(H,26,28)(H,27,29)/t19-,20+/m0/s1
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n/an/a 1.80n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26572
PNG
((3R,4R)-4-N-[4-({2-ethylpyrazolo[1,5-a]pyridin-3-y...)
Show SMILES CCc1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H26N4O4/c1-2-19-17(21-5-3-4-11-27(21)25-19)13-15-6-8-16(9-7-15)22(28)24-20-10-12-31-14-18(20)23(29)26-30/h3-9,11,18,20,30H,2,10,12-14H2,1H3,(H,24,28)(H,26,29)/t18-,20+/m0/s1
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n/an/a 2n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26567
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1-ben...)
Show SMILES CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H28N2O5/c1-15(2)23-19(18-5-3-4-6-22(18)32-23)13-16-7-9-17(10-8-16)24(28)26-21-11-12-31-14-20(21)25(29)27-30/h3-10,15,20-21,30H,11-14H2,1-2H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
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n/an/a 2.10n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26560
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C22H24N4O3/c1-13-17(16-4-2-3-5-19(16)24-13)10-14-6-8-15(9-7-14)21(27)25-20-12-23-11-18(20)22(28)26-29/h2-9,18,20,23-24,29H,10-12H2,1H3,(H,25,27)(H,26,28)/t18-,20+/m0/s1
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n/an/a 2.20n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26574
PNG
((3R,4R)-4-N-[4-({2-tert-butylpyrazolo[1,5-a]pyridi...)
Show SMILES CC(C)(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)22-18(21-6-4-5-12-29(21)27-22)14-16-7-9-17(10-8-16)23(30)26-20-11-13-33-15-19(20)24(31)28-32/h4-10,12,19-20,32H,11,13-15H2,1-3H3,(H,26,30)(H,28,31)/t19-,20+/m0/s1
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n/an/a 2.80n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26569
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)imidaz...)
Show SMILES CC(C)c1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-20(28-11-4-3-5-21(28)26-22)13-16-6-8-17(9-7-16)23(29)25-19-10-12-32-14-18(19)24(30)27-31/h3-9,11,15,18-19,31H,10,12-14H2,1-2H3,(H,25,29)(H,27,30)/t18-,19+/m0/s1
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n/an/a 3.20n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))		BDBM26562
PNG
((3R,4R)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C23H25N3O4/c1-14-18(17-4-2-3-5-20(17)24-14)12-15-6-8-16(9-7-15)22(27)25-21-10-11-30-13-19(21)23(28)26-29/h2-9,19,21,24,29H,10-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
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n/an/a 6n/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: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%