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Compile Data Set for Download or QSAR

Found 25 hits of Enz. Inhib. data with enzyme = 'Collagenase' and Substrate = 'MMP Substrate Peptide'   
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
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=1S/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-/m0/s1
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PubMed
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
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=1S/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+/m0/s1
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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
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
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 -7.99n/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
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=1S/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+/m0/s1
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PubMed
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
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=1S/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-/m0/s1
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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
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=1S/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+/m0/s1
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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
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=1S/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+/m0/s1
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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
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
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 -7.54n/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
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
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 -7.47n/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
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
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>-7.47n/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
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
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>-7.47n/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
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
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>-7.47n/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
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
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>-7.47n/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
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
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>-7.47n/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
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
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
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
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
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
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>-7.47n/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
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
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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PubMed
>3.33E+3>-7.47n/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
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
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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PubMed
>3.33E+3>-7.47n/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
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
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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PubMed
>3.33E+3>-7.47n/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
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
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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PubMed
>3.33E+3>-7.47n/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
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
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>-7.47n/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
Collagenase


(Homo sapiens (human))
BDBM26789
PNG
(benzimidazole analog., 15 | tert-butyl (3S,4S)-3-(...)
Show SMILES CSc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H31N5O5S/c1-26(2,3)36-25(34)30-14-18(23(33)29-35)20(15-30)27-22(32)17-11-9-16(10-12-17)13-31-21-8-6-5-7-19(21)28-24(31)37-4/h5-12,18,20,35H,13-15H2,1-4H3,(H,27,32)(H,29,33)/t18-,20+/m0/s1
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PubMed
>5.03E+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: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM26793
PNG
(benzimidazole analog., 19 | tert-butyl (3S,4S)-3-(...)
Show SMILES CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H35N5O5/c1-17(2)24-29-21-8-6-7-9-23(21)33(24)14-18-10-12-19(13-11-18)25(34)30-22-16-32(15-20(22)26(35)31-37)27(36)38-28(3,4)5/h6-13,17,20,22,37H,14-16H2,1-5H3,(H,30,34)(H,31,35)/t20-,22+/m0/s1
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PubMed
>5.03E+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: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM26791
PNG
(benzimidazole analog., 17 | tert-butyl (3S,4S)-3-(...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H31N5O5/c1-16-27-20-7-5-6-8-22(20)31(16)13-17-9-11-18(12-10-17)23(32)28-21-15-30(14-19(21)24(33)29-35)25(34)36-26(2,3)4/h5-12,19,21,35H,13-15H2,1-4H3,(H,28,32)(H,29,33)/t19-,21+/m0/s1
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PubMed
>5.03E+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: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair