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Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with all data for entry = 50038094   
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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP7


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-12 (MMP12)


(Homo sapiens (Human))
BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP12


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
Stromelysin-1


(Homo sapiens (human))
BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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54n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


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 10


(Homo sapiens (Human))
BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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240n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP10


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
Collagenase


(Homo sapiens (human))
BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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490n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


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
Collagenase


(homo sapiens (human))
BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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1.10E+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
Collagenase


(homo sapiens (human))
BDBM50371346
PNG
(CHEMBL256598)
Show SMILES CC(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C27H30N4O6/c1-16(2)37-27(34)31-13-22(26(33)30-35)24(14-31)29-25(32)18-8-10-20(11-9-18)36-15-19-12-17(3)28-23-7-5-4-6-21(19)23/h4-12,16,22,24,35H,13-15H2,1-3H3,(H,29,32)(H,30,33)/t22-,24+/m0/s1
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1.50E+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
Collagenase


(homo sapiens (human))
BDBM50371349
PNG
(CHEMBL401979)
Show SMILES CC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C25H26N4O5/c1-15-11-18(20-5-3-4-6-22(20)26-15)14-34-19-9-7-17(8-10-19)24(31)27-23-13-29(16(2)30)12-21(23)25(32)28-33/h3-11,21,23,33H,12-14H2,1-2H3,(H,27,31)(H,28,32)/t21-,23+/m0/s1
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1.70E+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
Collagenase


(Homo sapiens (Human))
BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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1.72E+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
Collagenase


(Homo sapiens (Human))
BDBM50371346
PNG
(CHEMBL256598)
Show SMILES CC(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C27H30N4O6/c1-16(2)37-27(34)31-13-22(26(33)30-35)24(14-31)29-25(32)18-8-10-20(11-9-18)36-15-19-12-17(3)28-23-7-5-4-6-21(19)23/h4-12,16,22,24,35H,13-15H2,1-3H3,(H,29,32)(H,30,33)/t22-,24+/m0/s1
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1.85E+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-8 (MMP-8)


(Homo sapiens (human))
BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP8


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
Collagenase


(Homo sapiens (Human))
BDBM50371355
PNG
(CHEMBL257531)
Show SMILES CN(C)[C@@H]1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C26H30N4O4/c1-16-12-18(21-6-4-5-7-23(21)27-16)15-34-20-10-8-17(9-11-20)25(31)28-24-14-19(30(2)3)13-22(24)26(32)29-33/h4-12,19,22,24,33H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,22-,24+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371351
PNG
(CHEMBL257532)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@H](O)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H25N3O5/c1-14-10-16(19-4-2-3-5-21(19)25-14)13-32-18-8-6-15(7-9-18)23(29)26-22-12-17(28)11-20(22)24(30)27-31/h2-10,17,20,22,28,31H,11-13H2,1H3,(H,26,29)(H,27,30)/t17-,20+,22-/m1/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371352
PNG
(CHEMBL438528)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@H](O)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H25N3O5/c1-14-10-16(19-4-2-3-5-21(19)25-14)13-32-18-8-6-15(7-9-18)23(29)26-22-12-17(28)11-20(22)24(30)27-31/h2-10,17,20,22,28,31H,11-13H2,1H3,(H,26,29)(H,27,30)/t17-,20-,22+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371343
PNG
(CHEMBL441901)
Show SMILES CC(C)CN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C27H32N4O4/c1-17(2)13-31-14-23(27(33)30-34)25(15-31)29-26(32)19-8-10-21(11-9-19)35-16-20-12-18(3)28-24-7-5-4-6-22(20)24/h4-12,17,23,25,34H,13-16H2,1-3H3,(H,29,32)(H,30,33)/t23-,25+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371348
PNG
(CHEMBL270819)
Show SMILES CC(C)C(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C27H30N4O5/c1-16(2)27(34)31-13-22(26(33)30-35)24(14-31)29-25(32)18-8-10-20(11-9-18)36-15-19-12-17(3)28-23-7-5-4-6-21(19)23/h4-12,16,22,24,35H,13-15H2,1-3H3,(H,29,32)(H,30,33)/t22-,24+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371350
PNG
(CHEMBL401824)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CC(F)(F)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H23F2N3O4/c1-14-10-16(18-4-2-3-5-20(18)27-14)13-33-17-8-6-15(7-9-17)22(30)28-21-12-24(25,26)11-19(21)23(31)29-32/h2-10,19,21,32H,11-13H2,1H3,(H,28,30)(H,29,31)/t19-,21+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371353
PNG
(CHEMBL272341)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CC(=O)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H23N3O5/c1-14-10-16(19-4-2-3-5-21(19)25-14)13-32-18-8-6-15(7-9-18)23(29)26-22-12-17(28)11-20(22)24(30)27-31/h2-10,20,22,31H,11-13H2,1H3,(H,26,29)(H,27,30)/t20-,22+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371339
PNG
(CHEMBL256245)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C30H30N4O4/c1-20-15-23(25-9-5-6-10-27(25)31-20)19-38-24-13-11-22(12-14-24)29(35)32-28-18-34(17-26(28)30(36)33-37)16-21-7-3-2-4-8-21/h2-15,26,28,37H,16-19H2,1H3,(H,32,35)(H,33,36)/t26-,28+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371354
PNG
(CHEMBL256805)
Show SMILES COC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C25H26N4O6/c1-15-11-17(19-5-3-4-6-21(19)26-15)14-35-18-9-7-16(8-10-18)23(30)27-22-13-29(25(32)34-2)12-20(22)24(31)28-33/h3-11,20,22,33H,12-14H2,1-2H3,(H,27,30)(H,28,31)/t20-,22+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371349
PNG
(CHEMBL401979)
Show SMILES CC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C25H26N4O5/c1-15-11-18(20-5-3-4-6-22(20)26-15)14-34-19-9-7-17(8-10-19)24(31)27-23-13-29(16(2)30)12-21(23)25(32)28-33/h3-11,21,23,33H,12-14H2,1-2H3,(H,27,31)(H,28,32)/t21-,23+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50204405
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C23H24N4O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)22(28)26-21-12-24-11-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371356
PNG
(CHEMBL256681)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)S(C)(=O)=O)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O6S/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-34-18-9-7-16(8-10-18)23(29)26-22-13-28(35(2,32)33)12-20(22)24(30)27-31/h3-11,20,22,31H,12-14H2,1-2H3,(H,26,29)(H,27,30)/t20-,22+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371347
PNG
(CHEMBL270606)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C28H32N4O5/c1-17-13-19(21-7-5-6-8-23(21)29-17)16-37-20-11-9-18(10-12-20)25(33)30-24-15-32(27(35)28(2,3)4)14-22(24)26(34)31-36/h5-13,22,24,36H,14-16H2,1-4H3,(H,30,33)(H,31,34)/t22-,24+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371345
PNG
(CHEMBL429589)
Show SMILES CN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-32-18-9-7-16(8-10-18)23(29)26-22-13-28(2)12-20(22)24(30)27-31/h3-11,20,22,31H,12-14H2,1-2H3,(H,26,29)(H,27,30)/t20-,22+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371344
PNG
(CHEMBL403401)
Show SMILES CC(C)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C26H30N4O4/c1-16(2)30-13-22(26(32)29-33)24(14-30)28-25(31)18-8-10-20(11-9-18)34-15-19-12-17(3)27-23-7-5-4-6-21(19)23/h4-12,16,22,24,33H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371342
PNG
(CHEMBL270800)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC=C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H28N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h3-11,13,22,24,33H,1,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371341
PNG
(CHEMBL404162)
Show SMILES CC(=C)CN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C27H30N4O4/c1-17(2)13-31-14-23(27(33)30-34)25(15-31)29-26(32)19-8-10-21(11-9-19)35-16-20-12-18(3)28-24-7-5-4-6-22(20)24/h4-12,23,25,34H,1,13-16H2,2-3H3,(H,29,32)(H,30,33)/t23-,25+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371340
PNG
(CHEMBL271234)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C2CCC2)c2ccccc2n1
Show InChI InChI=1S/C27H30N4O4/c1-17-13-19(22-7-2-3-8-24(22)28-17)16-35-21-11-9-18(10-12-21)26(32)29-25-15-31(20-5-4-6-20)14-23(25)27(33)30-34/h2-3,7-13,20,23,25,34H,4-6,14-16H2,1H3,(H,29,32)(H,30,33)/t23-,25+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371337
PNG
(CHEMBL439066)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(Cc3ccco3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C28H28N4O5/c1-18-13-20(23-6-2-3-7-25(23)29-18)17-37-21-10-8-19(9-11-21)27(33)30-26-16-32(14-22-5-4-12-36-22)15-24(26)28(34)31-35/h2-13,24,26,35H,14-17H2,1H3,(H,30,33)(H,31,34)/t24-,26+/m0/s1
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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
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+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
Collagenase


(Homo sapiens (Human))
BDBM50227849
PNG
(CHEMBL402746 | CHEMBL537229 | N-((1R,2S)-2-(hydrox...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H25N3O4/c1-15-13-17(19-5-2-3-7-21(19)25-15)14-31-18-11-9-16(10-12-18)23(28)26-22-8-4-6-20(22)24(29)27-30/h2-3,5,7,9-13,20,22,30H,4,6,8,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50371338
PNG
(CHEMBL256621)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2COC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C23H23N3O5/c1-14-10-16(18-4-2-3-5-20(18)24-14)11-31-17-8-6-15(7-9-17)22(27)25-21-13-30-12-19(21)23(28)26-29/h2-10,19,21,29H,11-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
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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
Collagenase


(homo sapiens (human))
BDBM50371339
PNG
(CHEMBL256245)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C30H30N4O4/c1-20-15-23(25-9-5-6-10-27(25)31-20)19-38-24-13-11-22(12-14-24)29(35)32-28-18-34(17-26(28)30(36)33-37)16-21-7-3-2-4-8-21/h2-15,26,28,37H,16-19H2,1H3,(H,32,35)(H,33,36)/t26-,28+/m0/s1
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2.63E+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
Collagenase


(homo sapiens (human))
BDBM50371354
PNG
(CHEMBL256805)
Show SMILES COC(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C25H26N4O6/c1-15-11-17(19-5-3-4-6-21(19)26-15)14-35-18-9-7-16(8-10-18)23(30)27-22-13-29(25(32)34-2)12-20(22)24(31)28-33/h3-11,20,22,33H,12-14H2,1-2H3,(H,27,30)(H,28,31)/t20-,22+/m0/s1
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2.73E+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-14 (MMP14)


(Homo sapiens (Human))
BDBM50229322
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H26N4O4/c1-3-12-30-14-22(26(32)29-33)24(15-30)28-25(31)18-8-10-20(11-9-18)34-16-19-13-17(2)27-23-7-5-4-6-21(19)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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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 MMP14


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
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+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
Collagenase


(homo sapiens (human))
BDBM50227849
PNG
(CHEMBL402746 | CHEMBL537229 | N-((1R,2S)-2-(hydrox...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H25N3O4/c1-15-13-17(19-5-2-3-7-21(19)25-15)14-31-18-11-9-16(10-12-18)23(28)26-22-8-4-6-20(22)24(29)27-30/h2-3,5,7,9-13,20,22,30H,4,6,8,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371353
PNG
(CHEMBL272341)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CC(=O)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H23N3O5/c1-14-10-16(19-4-2-3-5-21(19)25-14)13-32-18-8-6-15(7-9-18)23(29)26-22-12-17(28)11-20(22)24(30)27-31/h2-10,20,22,31H,11-13H2,1H3,(H,26,29)(H,27,30)/t20-,22+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371352
PNG
(CHEMBL438528)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@H](O)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H25N3O5/c1-14-10-16(19-4-2-3-5-21(19)25-14)13-32-18-8-6-15(7-9-18)23(29)26-22-12-17(28)11-20(22)24(30)27-31/h2-10,17,20,22,28,31H,11-13H2,1H3,(H,26,29)(H,27,30)/t17-,20-,22+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371351
PNG
(CHEMBL257532)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@H](O)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H25N3O5/c1-14-10-16(19-4-2-3-5-21(19)25-14)13-32-18-8-6-15(7-9-18)23(29)26-22-12-17(28)11-20(22)24(30)27-31/h2-10,17,20,22,28,31H,11-13H2,1H3,(H,26,29)(H,27,30)/t17-,20+,22-/m1/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371355
PNG
(CHEMBL257531)
Show SMILES CN(C)[C@@H]1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C26H30N4O4/c1-16-12-18(21-6-4-5-7-23(21)27-16)15-34-20-10-8-17(9-11-20)25(31)28-24-14-19(30(2)3)13-22(24)26(32)29-33/h4-12,19,22,24,33H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,22-,24+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371350
PNG
(CHEMBL401824)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CC(F)(F)C[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H23F2N3O4/c1-14-10-16(18-4-2-3-5-20(18)27-14)13-33-17-8-6-15(7-9-17)22(30)28-21-12-24(25,26)11-19(21)23(31)29-32/h2-10,19,21,32H,11-13H2,1H3,(H,28,30)(H,29,31)/t19-,21+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50204405
PNG
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C23H24N4O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)22(28)26-21-12-24-11-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371356
PNG
(CHEMBL256681)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)S(C)(=O)=O)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O6S/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-34-18-9-7-16(8-10-18)23(29)26-22-13-28(35(2,32)33)12-20(22)24(30)27-31/h3-11,20,22,31H,12-14H2,1-2H3,(H,26,29)(H,27,30)/t20-,22+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371348
PNG
(CHEMBL270819)
Show SMILES CC(C)C(=O)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C27H30N4O5/c1-16(2)27(34)31-13-22(26(33)30-35)24(14-31)29-25(32)18-8-10-20(11-9-18)36-15-19-12-17(3)28-23-7-5-4-6-21(19)23/h4-12,16,22,24,35H,13-15H2,1-3H3,(H,29,32)(H,30,33)/t22-,24+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371347
PNG
(CHEMBL270606)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C28H32N4O5/c1-17-13-19(21-7-5-6-8-23(21)29-17)16-37-20-11-9-18(10-12-20)25(33)30-24-15-32(27(35)28(2,3)4)14-22(24)26(34)31-36/h5-13,22,24,36H,14-16H2,1-4H3,(H,30,33)(H,31,34)/t22-,24+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371345
PNG
(CHEMBL429589)
Show SMILES CN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-32-18-9-7-16(8-10-18)23(29)26-22-13-28(2)12-20(22)24(30)27-31/h3-11,20,22,31H,12-14H2,1-2H3,(H,26,29)(H,27,30)/t20-,22+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371344
PNG
(CHEMBL403401)
Show SMILES CC(C)N1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C26H30N4O4/c1-16(2)30-13-22(26(32)29-33)24(14-30)28-25(31)18-8-10-20(11-9-18)34-15-19-12-17(3)27-23-7-5-4-6-21(19)23/h4-12,16,22,24,33H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1
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>3.33E+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
Collagenase


(homo sapiens (human))
BDBM50371343
PNG
(CHEMBL441901)
Show SMILES CC(C)CN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Show InChI InChI=1S/C27H32N4O4/c1-17(2)13-31-14-23(27(33)30-34)25(15-31)29-26(32)19-8-10-21(11-9-19)35-16-20-12-18(3)28-24-7-5-4-6-22(20)24/h4-12,17,23,25,34H,13-16H2,1-3H3,(H,29,32)(H,30,33)/t23-,25+/m0/s1
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>3.33E+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
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