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27 similar compounds to monomer 50229322

Compile data set for download or QSAR
Wt: 532.6
BDBM50183714
Wt: 518.6
BDBM50183723
Wt: 514.6
BDBM50183731
Wt: 490.5
BDBM50183733
Wt: 448.5
BDBM50183738
Wt: 532.6
BDBM50183741
Wt: 557.5
BDBM50195907
Wt: 515.5
BDBM50195912
Wt: 420.4
BDBM50204405
Wt: 490.5
BDBM50227846
Wt: 434.4
BDBM50227848
Wt: 505.6
BDBM50227854
Wt: 434.4
BDBM50227857
Wt: 500.5
BDBM50371337
Wt: 510.5
BDBM50371339
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 50183714,50183723,50183731,50183733,50183738,50183741,50195907,50195912,50204405,50227846,50227848,50227854,50227857,50371337,50371339   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50195912
PNG
(CHEMBL248173 | N-(2-acetyl-6,8,10-trioxo-2,7,9-tri...)
Show SMILES CC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C27H25N5O6/c1-15-11-18(20-5-3-4-6-21(20)28-15)13-38-19-9-7-17(8-10-19)23(34)29-22-12-32(16(2)33)14-27(22)24(35)30-26(37)31-25(27)36/h3-11,22H,12-14H2,1-2H3,(H,29,34)(H2,30,31,35,36,37)
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580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


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


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
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))
BDBM50183731
PNG
(CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1
Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


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


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


(Homo sapiens (Human))
BDBM50183723
PNG
(CHEMBL207726 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES CC(C)C(=O)N1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C29H34N4O5/c1-19(2)28(36)33-14-12-29(13-15-33,17-26(34)32-37)31-27(35)21-8-10-23(11-9-21)38-18-22-16-20(3)30-25-7-5-4-6-24(22)25/h4-11,16,19,37H,12-15,17-18H2,1-3H3,(H,31,35)(H,32,34)
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


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


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


(Homo sapiens (Human))
BDBM50183714
PNG
(CHEMBL206993 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)31-20)19-39-23-11-9-21(10-12-23)27(36)32-30(18-26(35)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,32,36)(H,33,35)
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>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


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


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
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))
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))
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))
BDBM50195907
PNG
(CHEMBL392867 | N-[2-(2,2-dimethyl-propionyl)-6,8,1...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H31N5O6/c1-17-13-19(21-7-5-6-8-22(21)31-17)15-41-20-11-9-18(10-12-20)24(36)32-23-14-35(27(39)29(2,3)4)16-30(23)25(37)33-28(40)34-26(30)38/h5-13,23H,14-16H2,1-4H3,(H,32,36)(H2,33,34,37,38,40)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


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


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


(Homo sapiens (Human))
BDBM50195912
PNG
(CHEMBL248173 | N-(2-acetyl-6,8,10-trioxo-2,7,9-tri...)
Show SMILES CC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C27H25N5O6/c1-15-11-18(20-5-3-4-6-21(20)28-15)13-38-19-9-7-17(8-10-19)23(34)29-22-12-32(16(2)33)14-27(22)24(35)30-26(37)31-25(27)36/h3-11,22H,12-14H2,1-2H3,(H,29,34)(H2,30,31,35,36,37)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


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


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


(Homo sapiens (Human))
BDBM50183731
PNG
(CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1
Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


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


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


(Homo sapiens (Human))
BDBM50183723
PNG
(CHEMBL207726 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES CC(C)C(=O)N1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C29H34N4O5/c1-19(2)28(36)33-14-12-29(13-15-33,17-26(34)32-37)31-27(35)21-8-10-23(11-9-21)38-18-22-16-20(3)30-25-7-5-4-6-24(22)25/h4-11,16,19,37H,12-15,17-18H2,1-3H3,(H,31,35)(H,32,34)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


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


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
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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>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))
BDBM50183714
PNG
(CHEMBL206993 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)31-20)19-39-23-11-9-21(10-12-23)27(36)32-30(18-26(35)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,32,36)(H,33,35)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


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


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
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))
BDBM50195912
PNG
(CHEMBL248173 | N-(2-acetyl-6,8,10-trioxo-2,7,9-tri...)
Show SMILES CC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C27H25N5O6/c1-15-11-18(20-5-3-4-6-21(20)28-15)13-38-19-9-7-17(8-10-19)23(34)29-22-12-32(16(2)33)14-27(22)24(35)30-26(37)31-25(27)36/h3-11,22H,12-14H2,1-2H3,(H,29,34)(H2,30,31,35,36,37)
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3.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


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


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


(Homo sapiens (Human))
BDBM50195912
PNG
(CHEMBL248173 | N-(2-acetyl-6,8,10-trioxo-2,7,9-tri...)
Show SMILES CC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C27H25N5O6/c1-15-11-18(20-5-3-4-6-21(20)28-15)13-38-19-9-7-17(8-10-19)23(34)29-22-12-32(16(2)33)14-27(22)24(35)30-26(37)31-25(27)36/h3-11,22H,12-14H2,1-2H3,(H,29,34)(H2,30,31,35,36,37)
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


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


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


(Homo sapiens (Human))
BDBM50195907
PNG
(CHEMBL392867 | N-[2-(2,2-dimethyl-propionyl)-6,8,1...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H31N5O6/c1-17-13-19(21-7-5-6-8-22(21)31-17)15-41-20-11-9-18(10-12-20)24(36)32-23-14-35(27(39)29(2,3)4)16-30(23)25(37)33-28(40)34-26(30)38/h5-13,23H,14-16H2,1-4H3,(H,32,36)(H2,33,34,37,38,40)
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


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


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


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


Article DOI: 10.1016/j.bmcl.2007.11.059
BindingDB Entry DOI: 10.7270/Q2BV7HGG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


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


Article DOI: 10.1016/j.bmcl.2007.11.059
BindingDB Entry DOI: 10.7270/Q2BV7HGG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


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


Article DOI: 10.1016/j.bmcl.2007.11.059
BindingDB Entry DOI: 10.7270/Q2BV7HGG
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183723
PNG
(CHEMBL207726 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES CC(C)C(=O)N1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C29H34N4O5/c1-19(2)28(36)33-14-12-29(13-15-33,17-26(34)32-37)31-27(35)21-8-10-23(11-9-21)38-18-22-16-20(3)30-25-7-5-4-6-24(22)25/h4-11,16,19,37H,12-15,17-18H2,1-3H3,(H,31,35)(H,32,34)
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


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


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183731
PNG
(CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1
Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


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


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50183714
PNG
(CHEMBL206993 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)31-20)19-39-23-11-9-21(10-12-23)27(36)32-30(18-26(35)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,32,36)(H,33,35)
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>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


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


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


(Homo sapiens (Human))
BDBM50183731
PNG
(CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1
Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


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


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


(Homo sapiens (Human))
BDBM50183723
PNG
(CHEMBL207726 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES CC(C)C(=O)N1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C29H34N4O5/c1-19(2)28(36)33-14-12-29(13-15-33,17-26(34)32-37)31-27(35)21-8-10-23(11-9-21)38-18-22-16-20(3)30-25-7-5-4-6-24(22)25/h4-11,16,19,37H,12-15,17-18H2,1-3H3,(H,31,35)(H,32,34)
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


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


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


(Homo sapiens (Human))
BDBM50183714
PNG
(CHEMBL206993 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)31-20)19-39-23-11-9-21(10-12-23)27(36)32-30(18-26(35)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,32,36)(H,33,35)
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


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


Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50195907
PNG
(CHEMBL392867 | N-[2-(2,2-dimethyl-propionyl)-6,8,1...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H31N5O6/c1-17-13-19(21-7-5-6-8-22(21)31-17)15-41-20-11-9-18(10-12-20)24(36)32-23-14-35(27(39)29(2,3)4)16-30(23)25(37)33-28(40)34-26(30)38/h5-13,23H,14-16H2,1-4H3,(H,32,36)(H2,33,34,37,38,40)
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>6.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


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


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


(Homo sapiens (Human))
BDBM50195907
PNG
(CHEMBL392867 | N-[2-(2,2-dimethyl-propionyl)-6,8,1...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H31N5O6/c1-17-13-19(21-7-5-6-8-22(21)31-17)15-41-20-11-9-18(10-12-20)24(36)32-23-14-35(27(39)29(2,3)4)16-30(23)25(37)33-28(40)34-26(30)38/h5-13,23H,14-16H2,1-4H3,(H,32,36)(H2,33,34,37,38,40)
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


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


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


(Homo sapiens (Human))
BDBM50195912
PNG
(CHEMBL248173 | N-(2-acetyl-6,8,10-trioxo-2,7,9-tri...)
Show SMILES CC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C27H25N5O6/c1-15-11-18(20-5-3-4-6-21(20)28-15)13-38-19-9-7-17(8-10-19)23(34)29-22-12-32(16(2)33)14-27(22)24(35)30-26(37)31-25(27)36/h3-11,22H,12-14H2,1-2H3,(H,29,34)(H2,30,31,35,36,37)
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


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


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


(Sus scrofa (pig))
BDBM50183733
PNG
(CHEMBL264119 | N-hydroxy-4-((4-((2-methylquinolin-...)
Show SMILES CCCN1CCC(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)(CC1)C(=O)NO
Show InChI InChI=1S/C28H34N4O4/c1-3-14-32-15-12-28(13-16-32,27(34)31-35)19-29-26(33)21-8-10-23(11-9-21)36-18-22-17-20(2)30-25-7-5-4-6-24(22)25/h4-11,17,35H,3,12-16,18-19H2,1-2H3,(H,29,33)(H,31,34)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


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


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


(Sus scrofa (pig))
BDBM50183723
PNG
(CHEMBL207726 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES CC(C)C(=O)N1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C29H34N4O5/c1-19(2)28(36)33-14-12-29(13-15-33,17-26(34)32-37)31-27(35)21-8-10-23(11-9-21)38-18-22-16-20(3)30-25-7-5-4-6-24(22)25/h4-11,16,19,37H,12-15,17-18H2,1-3H3,(H,31,35)(H,32,34)
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


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


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


(Sus scrofa (pig))
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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n/an/a 6.30n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


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


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


(Sus scrofa (pig))
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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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


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


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


(Sus scrofa (pig))
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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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


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


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


(Sus scrofa (pig))
BDBM50227857
PNG
((3S,4S)-N-hydroxy-3-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNCC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O4/c1-15-12-17(19-4-2-3-5-21(19)26-15)14-32-18-8-6-16(7-9-18)23(29)27-22-13-25-11-10-20(22)24(30)28-31/h2-9,12,20,22,25,31H,10-11,13-14H2,1H3,(H,27,29)(H,28,30)/t20-,22+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


Bioorg Med Chem Lett 18: 241-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.093
BindingDB Entry DOI: 10.7270/Q2JM2BGZ
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50227854
PNG
((3S,4S)-1-(2-(dimethylamino)ethyl)-N-hydroxy-3-(4-...)
Show SMILES CN(C)CCN1CC[C@@H]([C@@H](C1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
Show InChI InChI=1S/C28H35N5O4/c1-19-16-21(23-6-4-5-7-25(23)29-19)18-37-22-10-8-20(9-11-22)27(34)30-26-17-33(15-14-32(2)3)13-12-24(26)28(35)31-36/h4-11,16,24,26,36H,12-15,17-18H2,1-3H3,(H,30,34)(H,31,35)/t24-,26+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


Bioorg Med Chem Lett 18: 241-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.093
BindingDB Entry DOI: 10.7270/Q2JM2BGZ
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50227848
PNG
((3S,4R)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCNC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H26N4O4/c1-15-12-17(19-4-2-3-5-21(19)26-15)14-32-18-8-6-16(7-9-18)23(29)27-22-10-11-25-13-20(22)24(30)28-31/h2-9,12,20,22,25,31H,10-11,13-14H2,1H3,(H,27,29)(H,28,30)/t20-,22+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


Bioorg Med Chem Lett 18: 241-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.093
BindingDB Entry DOI: 10.7270/Q2JM2BGZ
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50227846
PNG
((3S,4S)-1-tert-butyl-N-hydroxy-3-(4-((2-methylquin...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CN(CC[C@@H]2C(=O)NO)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C28H34N4O4/c1-18-15-20(22-7-5-6-8-24(22)29-18)17-36-21-11-9-19(10-12-21)26(33)30-25-16-32(28(2,3)4)14-13-23(25)27(34)31-35/h5-12,15,23,25,35H,13-14,16-17H2,1-4H3,(H,30,33)(H,31,34)/t23-,25+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


Bioorg Med Chem Lett 18: 241-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.093
BindingDB Entry DOI: 10.7270/Q2JM2BGZ
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
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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n/an/a 6.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


Bioorg Med Chem Lett 17: 1865-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4
More data for this
Ligand-Target Pair
ADAM17


(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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n/an/a 75n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TACE in human whole blood


Bioorg Med Chem Lett 17: 1865-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50195912
PNG
(CHEMBL248173 | N-(2-acetyl-6,8,10-trioxo-2,7,9-tri...)
Show SMILES CC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C2(C1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C27H25N5O6/c1-15-11-18(20-5-3-4-6-21(20)28-15)13-38-19-9-7-17(8-10-19)23(34)29-22-12-32(16(2)33)14-27(22)24(35)30-26(37)31-25(27)36/h3-11,22H,12-14H2,1-2H3,(H,29,34)(H2,30,31,35,36,37)
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


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


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


(Sus scrofa (pig))
BDBM50195907
PNG
(CHEMBL392867 | N-[2-(2,2-dimethyl-propionyl)-6,8,1...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2CN(CC22C(=O)NC(=O)NC2=O)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H31N5O6/c1-17-13-19(21-7-5-6-8-22(21)31-17)15-41-20-11-9-18(10-12-20)24(36)32-23-14-35(27(39)29(2,3)4)16-30(23)25(37)33-28(40)34-26(30)38/h5-13,23H,14-16H2,1-4H3,(H,32,36)(H2,33,34,37,38,40)
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n/an/a 111n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


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


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


(Homo sapiens (Human))
BDBM50183741
PNG
(CHEMBL204627 | N-hydroxy-4-((4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCC2(CCN(CC2)C(=O)C(C)(C)C)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)32-20)18-39-23-11-9-21(10-12-23)26(35)31-19-30(27(36)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,31,35)(H,33,36)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


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


(Sus scrofa (pig))
BDBM50183731
PNG
(CHEMBL207709 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(C)(C)C#C)c2ccccc2n1
Show InChI InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)
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n/an/a 2.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


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


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


(Homo sapiens (Human))
BDBM50183714
PNG
(CHEMBL206993 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)31-20)19-39-23-11-9-21(10-12-23)27(36)32-30(18-26(35)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,32,36)(H,33,35)
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n/an/a 102n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


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


(Sus scrofa (pig))
BDBM50183714
PNG
(CHEMBL206993 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(=O)C(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)31-20)19-39-23-11-9-21(10-12-23)27(36)32-30(18-26(35)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,32,36)(H,33,35)
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n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


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


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


(Sus scrofa (pig))
BDBM50183741
PNG
(CHEMBL204627 | N-hydroxy-4-((4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCC2(CCN(CC2)C(=O)C(C)(C)C)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C30H36N4O5/c1-20-17-22(24-7-5-6-8-25(24)32-20)18-39-23-11-9-21(10-12-23)26(35)31-19-30(27(36)33-38)13-15-34(16-14-30)28(37)29(2,3)4/h5-12,17,38H,13-16,18-19H2,1-4H3,(H,31,35)(H,33,36)
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n/an/a 2.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


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


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


(Sus scrofa (pig))
BDBM50183738
PNG
(CHEMBL208039 | N-hydroxy-4-((4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCC2(CCNCC2)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)28-17)15-33-20-8-6-18(7-9-20)23(30)27-16-25(24(31)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,27,30)(H,29,31)
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n/an/a 4.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


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


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


(Homo sapiens (Human))
BDBM50183738
PNG
(CHEMBL208039 | N-hydroxy-4-((4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCC2(CCNCC2)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)28-17)15-33-20-8-6-18(7-9-20)23(30)27-16-25(24(31)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,27,30)(H,29,31)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


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


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


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