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Compile Data Set for Download or QSAR

Found 669 hits with Last Name = 'mandlekar' and Initial = 's'   
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
Collagenase


(Homo sapiens (Human))
BDBM50127481
PNG
(2-(7-Benzyloxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambd...)
Show SMILES CC(C)C[C@@H](N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H27N3O5S/c1-15(2)12-19(21(25)23-26)24-11-10-22-18-13-17(8-9-20(18)30(24,27)28)29-14-16-6-4-3-5-7-16/h3-9,13,15,19,22,26H,10-12,14H2,1-2H3,(H,23,25)/t19-/m1/s1
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<2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127451
PNG
(CHEMBL53643 | N-Hydroxy-2-[7-(4-methoxy-phenoxy)-1...)
Show SMILES COc1ccc(Oc2ccc3c(NCCN([C@H](C)C(=O)NO)S3(=O)=O)c2)cc1
Show InChI InChI=1S/C18H21N3O6S/c1-12(18(22)20-23)21-10-9-19-16-11-15(7-8-17(16)28(21,24)25)27-14-5-3-13(26-2)4-6-14/h3-8,11-12,19,23H,9-10H2,1-2H3,(H,20,22)/t12-/m1/s1
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<2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127462
PNG
(2-[7-(Biphenyl-4-yloxy)-1,1-dioxo-1,3,4,5-tetrahyd...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)-c3ccccc3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C23H23N3O5S/c1-16(23(27)25-28)26-14-13-24-21-15-20(11-12-22(21)32(26,29)30)31-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15-16,24,28H,13-14H2,1H3,(H,25,27)/t16-/m1/s1
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<2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127465
PNG
(2-[1,1-Dioxo-7-(4-trifluoromethyl-phenoxy)-1,3,4,5...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)C(F)(F)F)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H18F3N3O5S/c1-11(17(25)23-26)24-9-8-22-15-10-14(6-7-16(15)30(24,27)28)29-13-4-2-12(3-5-13)18(19,20)21/h2-7,10-11,22,26H,8-9H2,1H3,(H,23,25)/t11-/m1/s1
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<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127450
PNG
(CHEMBL51966 | N-Hydroxy-2-(7-hydroxy-1,1-dioxo-1,3...)
Show SMILES C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C11H15N3O5S/c1-7(11(16)13-17)14-5-4-12-9-6-8(15)2-3-10(9)20(14,18)19/h2-3,6-7,12,15,17H,4-5H2,1H3,(H,13,16)/t7-/m1/s1
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<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127481
PNG
(2-(7-Benzyloxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambd...)
Show SMILES CC(C)C[C@@H](N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H27N3O5S/c1-15(2)12-19(21(25)23-26)24-11-10-22-18-13-17(8-9-20(18)30(24,27)28)29-14-16-6-4-3-5-7-16/h3-9,13,15,19,22,26H,10-12,14H2,1-2H3,(H,23,25)/t19-/m1/s1
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<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127475
PNG
(2-(7-Benzyloxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambd...)
Show SMILES C[C@@H](N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H21N3O5S/c1-13(18(22)20-23)21-10-9-19-16-11-15(7-8-17(16)27(21,24)25)26-12-14-5-3-2-4-6-14/h2-8,11,13,19,23H,9-10,12H2,1H3,(H,20,22)/t13-/m1/s1
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<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127462
PNG
(2-[7-(Biphenyl-4-yloxy)-1,1-dioxo-1,3,4,5-tetrahyd...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)-c3ccccc3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C23H23N3O5S/c1-16(23(27)25-28)26-14-13-24-21-15-20(11-12-22(21)32(26,29)30)31-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15-16,24,28H,13-14H2,1H3,(H,25,27)/t16-/m1/s1
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<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127451
PNG
(CHEMBL53643 | N-Hydroxy-2-[7-(4-methoxy-phenoxy)-1...)
Show SMILES COc1ccc(Oc2ccc3c(NCCN([C@H](C)C(=O)NO)S3(=O)=O)c2)cc1
Show InChI InChI=1S/C18H21N3O6S/c1-12(18(22)20-23)21-10-9-19-16-11-15(7-8-17(16)28(21,24)25)27-14-5-3-13(26-2)4-6-14/h3-8,11-12,19,23H,9-10H2,1-2H3,(H,20,22)/t12-/m1/s1
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<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127480
PNG
(2-(1,1-Dioxo-7-phenyl-1,3,4,5-tetrahydro-1lambda*6...)
Show SMILES C[C@@H](N1CCNc2cc(ccc2S1(=O)=O)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H19N3O4S/c1-12(17(21)19-22)20-10-9-18-15-11-14(13-5-3-2-4-6-13)7-8-16(15)25(20,23)24/h2-8,11-12,18,22H,9-10H2,1H3,(H,19,21)/t12-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127473
PNG
(2-(1,1-Dioxo-7-phenoxy-1,3,4,5-tetrahydro-1lambda*...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccccc3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C17H19N3O5S/c1-12(17(21)19-22)20-10-9-18-15-11-14(7-8-16(15)26(20,23)24)25-13-5-3-2-4-6-13/h2-8,11-12,18,22H,9-10H2,1H3,(H,19,21)/t12-/m1/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127475
PNG
(2-(7-Benzyloxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambd...)
Show SMILES C[C@@H](N1CCNc2cc(OCc3ccccc3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H21N3O5S/c1-13(18(22)20-23)21-10-9-19-16-11-15(7-8-17(16)27(21,24)25)26-12-14-5-3-2-4-6-14/h2-8,11,13,19,23H,9-10,12H2,1H3,(H,20,22)/t13-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127472
PNG
(2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCNS(C)(=O)=O)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C24H34N4O9S2/c1-35-19-12-17(13-20(14-19)36-2)16-37-18-7-8-23-21(15-18)25-10-11-28(39(23,33)34)22(24(29)27-30)6-4-5-9-26-38(3,31)32/h7-8,12-15,22,25-26,30H,4-6,9-11,16H2,1-3H3,(H,27,29)/t22-/m1/s1
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127465
PNG
(2-[1,1-Dioxo-7-(4-trifluoromethyl-phenoxy)-1,3,4,5...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)C(F)(F)F)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H18F3N3O5S/c1-11(17(25)23-26)24-9-8-22-15-10-14(6-7-16(15)30(24,27)28)29-13-4-2-12(3-5-13)18(19,20)21/h2-7,10-11,22,26H,8-9H2,1H3,(H,23,25)/t11-/m1/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127480
PNG
(2-(1,1-Dioxo-7-phenyl-1,3,4,5-tetrahydro-1lambda*6...)
Show SMILES C[C@@H](N1CCNc2cc(ccc2S1(=O)=O)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H19N3O4S/c1-12(17(21)19-22)20-10-9-18-15-11-14(13-5-3-2-4-6-13)7-8-16(15)25(20,23)24/h2-8,11-12,18,22H,9-10H2,1H3,(H,19,21)/t12-/m1/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127476
PNG
(CHEMBL54021 | N-Hydroxy-2-(7-methoxy-1,1-dioxo-1,3...)
Show SMILES COc1ccc2c(NCCN([C@H](C)C(=O)NO)S2(=O)=O)c1
Show InChI InChI=1S/C12H17N3O5S/c1-8(12(16)14-17)15-6-5-13-10-7-9(20-2)3-4-11(10)21(15,18)19/h3-4,7-8,13,17H,5-6H2,1-2H3,(H,14,16)/t8-/m1/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127454
PNG
(CHEMBL301303 | N-Hydroxy-2-[7-(4-nitro-phenoxy)-1,...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-9-8-18-15-10-14(6-7-16(15)29(20,26)27)28-13-4-2-12(3-5-13)21(24)25/h2-7,10-11,18,23H,8-9H2,1H3,(H,19,22)/t11-/m1/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127470
PNG
(2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C22H29N3O7S/c1-14(2)21(22(26)24-27)25-8-7-23-19-12-16(5-6-20(19)33(25,28)29)32-13-15-9-17(30-3)11-18(10-15)31-4/h5-6,9-12,14,21,23,27H,7-8,13H2,1-4H3,(H,24,26)/t21-/m1/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127456
PNG
(5-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COC(=O)CCC[C@@H](N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C24H31N3O9S/c1-33-18-11-16(12-19(13-18)34-2)15-36-17-7-8-22-20(14-17)25-9-10-27(37(22,31)32)21(24(29)26-30)5-4-6-23(28)35-3/h7-8,11-14,21,25,30H,4-6,9-10,15H2,1-3H3,(H,26,29)/t21-/m1/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127478
PNG
(2-(7-Hydroxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*...)
Show SMILES CC(C)C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C14H21N3O5S/c1-9(2)7-12(14(19)16-20)17-6-5-15-11-8-10(18)3-4-13(11)23(17,21)22/h3-4,8-9,12,15,18,20H,5-7H2,1-2H3,(H,16,19)/t12-/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127454
PNG
(CHEMBL301303 | N-Hydroxy-2-[7-(4-nitro-phenoxy)-1,...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-9-8-18-15-10-14(6-7-16(15)29(20,26)27)28-13-4-2-12(3-5-13)21(24)25/h2-7,10-11,18,23H,8-9H2,1H3,(H,19,22)/t11-/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127452
PNG
(5-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1
Show InChI InChI=1S/C26H35N3O9S/c1-4-36-20-13-18(14-21(15-20)37-5-2)17-38-19-9-10-24-22(16-19)27-11-12-29(39(24,33)34)23(26(31)28-32)7-6-8-25(30)35-3/h9-10,13-16,23,27,32H,4-8,11-12,17H2,1-3H3,(H,28,31)/t23-/m1/s1
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127471
PNG
(2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C23H31N3O7S/c1-15(2)9-21(23(27)25-28)26-8-7-24-20-13-17(5-6-22(20)34(26,29)30)33-14-16-10-18(31-3)12-19(11-16)32-4/h5-6,10-13,15,21,24,28H,7-9,14H2,1-4H3,(H,25,27)/t21-/m1/s1
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127454
PNG
(CHEMBL301303 | N-Hydroxy-2-[7-(4-nitro-phenoxy)-1,...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccc(cc3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-9-8-18-15-10-14(6-7-16(15)29(20,26)27)28-13-4-2-12(3-5-13)21(24)25/h2-7,10-11,18,23H,8-9H2,1H3,(H,19,22)/t11-/m1/s1
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19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127473
PNG
(2-(1,1-Dioxo-7-phenoxy-1,3,4,5-tetrahydro-1lambda*...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3ccccc3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C17H19N3O5S/c1-12(17(21)19-22)20-10-9-18-15-11-14(7-8-16(15)26(20,23)24)25-13-5-3-2-4-6-13/h2-8,11-12,18,22H,9-10H2,1H3,(H,19,21)/t12-/m1/s1
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127469
PNG
(2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C20H25N3O7S/c1-13(20(24)22-25)23-7-6-21-18-11-15(4-5-19(18)31(23,26)27)30-12-14-8-16(28-2)10-17(9-14)29-3/h4-5,8-11,13,21,25H,6-7,12H2,1-3H3,(H,22,24)/t13-/m1/s1
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27n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127474
PNG
(6-Amino-2-[7-(3,5-dimethoxy-benzyloxy)-1,1-dioxo-1...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCN)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C23H32N4O7S/c1-32-18-11-16(12-19(13-18)33-2)15-34-17-6-7-22-20(14-17)25-9-10-27(35(22,30)31)21(23(28)26-29)5-3-4-8-24/h6-7,11-14,21,25,29H,3-5,8-10,15,24H2,1-2H3,(H,26,28)/t21-/m1/s1
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31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127466
PNG
(CHEMBL299141 | {5-[7-(3,5-Dimethoxy-benzyloxy)-1,1...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C28H40N4O9S/c1-28(2,3)41-27(34)30-11-7-6-8-24(26(33)31-35)32-13-12-29-23-17-20(9-10-25(23)42(32,36)37)40-18-19-14-21(38-4)16-22(15-19)39-5/h9-10,14-17,24,29,35H,6-8,11-13,18H2,1-5H3,(H,30,34)(H,31,33)/t24-/m1/s1
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32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127483
PNG
(2-[7-(3,5-Dichloro-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Show SMILES C[C@@H](N1CCNc2cc(OCc3cc(Cl)cc(Cl)c3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H19Cl2N3O5S/c1-11(18(24)22-25)23-5-4-21-16-9-15(2-3-17(16)29(23,26)27)28-10-12-6-13(19)8-14(20)7-12/h2-3,6-9,11,21,25H,4-5,10H2,1H3,(H,22,24)/t11-/m1/s1
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49n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127455
PNG
(2-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](C(C)C)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1
Show InChI InChI=1S/C24H33N3O7S/c1-5-32-19-11-17(12-20(13-19)33-6-2)15-34-18-7-8-22-21(14-18)25-9-10-27(35(22,30)31)23(16(3)4)24(28)26-29/h7-8,11-14,16,23,25,29H,5-6,9-10,15H2,1-4H3,(H,26,28)/t23-/m1/s1
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51n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127458
PNG
(CHEMBL300394 | N-Hydroxy-2-(7-methoxy-1,1-dioxo-1,...)
Show SMILES COc1ccc2c(NCCN([C@H](C(C)C)C(=O)NO)S2(=O)=O)c1
Show InChI InChI=1S/C14H21N3O5S/c1-9(2)13(14(18)16-19)17-7-6-15-11-8-10(22-3)4-5-12(11)23(17,20)21/h4-5,8-9,13,15,19H,6-7H2,1-3H3,(H,16,18)/t13-/m1/s1
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52n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127484
PNG
(2-[7-(3,5-Dimethoxy-benzylamino)-1,1-dioxo-1,3,4,5...)
Show SMILES COc1cc(CNc2ccc3c(NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C23H32N4O6S/c1-15(2)9-21(23(28)26-29)27-8-7-24-20-12-17(5-6-22(20)34(27,30)31)25-14-16-10-18(32-3)13-19(11-16)33-4/h5-6,10-13,15,21,24-25,29H,7-9,14H2,1-4H3,(H,26,28)/t21-/m1/s1
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56n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127458
PNG
(CHEMBL300394 | N-Hydroxy-2-(7-methoxy-1,1-dioxo-1,...)
Show SMILES COc1ccc2c(NCCN([C@H](C(C)C)C(=O)NO)S2(=O)=O)c1
Show InChI InChI=1S/C14H21N3O5S/c1-9(2)13(14(18)16-19)17-7-6-15-11-8-10(22-3)4-5-12(11)23(17,20)21/h4-5,8-9,13,15,19H,6-7H2,1-3H3,(H,16,18)/t13-/m1/s1
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127477
PNG
(2-(1,1-Dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f...)
Show SMILES C[C@@H](N1CCNc2ccccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C11H15N3O4S/c1-8(11(15)13-16)14-7-6-12-9-4-2-3-5-10(9)19(14,17)18/h2-5,8,12,16H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
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75n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127457
PNG
(2-[7-(2,6-Dimethyl-pyridin-4-ylmethoxy)-1,1-dioxo-...)
Show SMILES C[C@@H](N1CCNc2cc(OCc3cc(C)nc(C)c3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H24N4O5S/c1-12-8-15(9-13(2)21-12)11-28-16-4-5-18-17(10-16)20-6-7-23(29(18,26)27)14(3)19(24)22-25/h4-5,8-10,14,20,25H,6-7,11H2,1-3H3,(H,22,24)/t14-/m1/s1
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75n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127484
PNG
(2-[7-(3,5-Dimethoxy-benzylamino)-1,1-dioxo-1,3,4,5...)
Show SMILES COc1cc(CNc2ccc3c(NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C23H32N4O6S/c1-15(2)9-21(23(28)26-29)27-8-7-24-20-12-17(5-6-22(20)34(27,30)31)25-14-16-10-18(32-3)13-19(11-16)33-4/h5-6,10-13,15,21,24-25,29H,7-9,14H2,1-4H3,(H,26,28)/t21-/m1/s1
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75n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127466
PNG
(CHEMBL299141 | {5-[7-(3,5-Dimethoxy-benzyloxy)-1,1...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C28H40N4O9S/c1-28(2,3)41-27(34)30-11-7-6-8-24(26(33)31-35)32-13-12-29-23-17-20(9-10-25(23)42(32,36)37)40-18-19-14-21(38-4)16-22(15-19)39-5/h9-10,14-17,24,29,35H,6-8,11-13,18H2,1-5H3,(H,30,34)(H,31,33)/t24-/m1/s1
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77n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127478
PNG
(2-(7-Hydroxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*...)
Show SMILES CC(C)C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C14H21N3O5S/c1-9(2)7-12(14(19)16-20)17-6-5-15-11-8-10(18)3-4-13(11)23(17,21)22/h3-4,8-9,12,15,18,20H,5-7H2,1-2H3,(H,16,19)/t12-/m1/s1
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80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127467
PNG
(2-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](C)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1
Show InChI InChI=1S/C22H29N3O7S/c1-4-30-18-10-16(11-19(12-18)31-5-2)14-32-17-6-7-21-20(13-17)23-8-9-25(33(21,28)29)15(3)22(26)24-27/h6-7,10-13,15,23,27H,4-5,8-9,14H2,1-3H3,(H,24,26)/t15-/m1/s1
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81n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127460
PNG
(CHEMBL52659 | N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-8-7-18-15-10-14(5-6-16(15)29(20,26)27)28-13-4-2-3-12(9-13)21(24)25/h2-6,9-11,18,23H,7-8H2,1H3,(H,19,22)/t11-/m1/s1
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85n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127478
PNG
(2-(7-Hydroxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*...)
Show SMILES CC(C)C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C14H21N3O5S/c1-9(2)7-12(14(19)16-20)17-6-5-15-11-8-10(18)3-4-13(11)23(17,21)22/h3-4,8-9,12,15,18,20H,5-7H2,1-2H3,(H,16,19)/t12-/m1/s1
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89n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127479
PNG
(CHEMBL297959 | N-[2-(1-Hydroxycarbamoyl-ethyl)-1,1...)
Show SMILES C[C@@H](N1CCNc2cc(NC(=O)c3cc(C)cc(C)c3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C20H24N4O5S/c1-12-8-13(2)10-15(9-12)20(26)22-16-4-5-18-17(11-16)21-6-7-24(30(18,28)29)14(3)19(25)23-27/h4-5,8-11,14,21,27H,6-7H2,1-3H3,(H,22,26)(H,23,25)/t14-/m1/s1
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94n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127460
PNG
(CHEMBL52659 | N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-8-7-18-15-10-14(5-6-16(15)29(20,26)27)28-13-4-2-3-12(9-13)21(24)25/h2-6,9-11,18,23H,7-8H2,1H3,(H,19,22)/t11-/m1/s1
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96n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127450
PNG
(CHEMBL51966 | N-Hydroxy-2-(7-hydroxy-1,1-dioxo-1,3...)
Show SMILES C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C11H15N3O5S/c1-7(11(16)13-17)14-5-4-12-9-6-8(15)2-3-10(9)20(14,18)19/h2-3,6-7,12,15,17H,4-5H2,1H3,(H,13,16)/t7-/m1/s1
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100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127476
PNG
(CHEMBL54021 | N-Hydroxy-2-(7-methoxy-1,1-dioxo-1,3...)
Show SMILES COc1ccc2c(NCCN([C@H](C)C(=O)NO)S2(=O)=O)c1
Show InChI InChI=1S/C12H17N3O5S/c1-8(12(16)14-17)15-6-5-13-10-7-9(20-2)3-4-11(10)21(15,18)19/h3-4,7-8,13,17H,5-6H2,1-2H3,(H,14,16)/t8-/m1/s1
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104n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127466
PNG
(CHEMBL299141 | {5-[7-(3,5-Dimethoxy-benzyloxy)-1,1...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C28H40N4O9S/c1-28(2,3)41-27(34)30-11-7-6-8-24(26(33)31-35)32-13-12-29-23-17-20(9-10-25(23)42(32,36)37)40-18-19-14-21(38-4)16-22(15-19)39-5/h9-10,14-17,24,29,35H,6-8,11-13,18H2,1-5H3,(H,30,34)(H,31,33)/t24-/m1/s1
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118n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127460
PNG
(CHEMBL52659 | N-Hydroxy-2-[7-(3-nitro-phenoxy)-1,1...)
Show SMILES C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C17H18N4O7S/c1-11(17(22)19-23)20-8-7-18-15-10-14(5-6-16(15)29(20,26)27)28-13-4-2-3-12(9-13)21(24)25/h2-6,9-11,18,23H,7-8H2,1H3,(H,19,22)/t11-/m1/s1
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129n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127468
PNG
(2-[7-(3,5-Dimethyl-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Show SMILES C[C@@H](N1CCNc2cc(OCc3cc(C)cc(C)c3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C20H25N3O5S/c1-13-8-14(2)10-16(9-13)12-28-17-4-5-19-18(11-17)21-6-7-23(29(19,26)27)15(3)20(24)22-25/h4-5,8-11,15,21,25H,6-7,12H2,1-3H3,(H,22,24)/t15-/m1/s1
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136n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127483
PNG
(2-[7-(3,5-Dichloro-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Show SMILES C[C@@H](N1CCNc2cc(OCc3cc(Cl)cc(Cl)c3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H19Cl2N3O5S/c1-11(18(24)22-25)23-5-4-21-16-9-15(2-3-17(16)29(23,26)27)28-10-12-6-13(19)8-14(20)7-12/h2-3,6-9,11,21,25H,4-5,10H2,1H3,(H,22,24)/t11-/m1/s1
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153n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127471
PNG
(2-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C23H31N3O7S/c1-15(2)9-21(23(27)25-28)26-8-7-24-20-13-17(5-6-22(20)34(26,29)30)33-14-16-10-18(31-3)12-19(11-16)32-4/h5-6,10-13,15,21,24,28H,7-9,14H2,1-4H3,(H,25,27)/t21-/m1/s1
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154n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
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