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16 similar compounds to monomer 50247674

Wt: 565.6
BDBM50127452
Wt: 551.6
BDBM50127453
Wt: 507.6
BDBM50127455
Wt: 537.5
BDBM50127456
Wt: 523.5
BDBM50127464
Wt: 608.7
BDBM50127466
Wt: 479.5
BDBM50127467
Wt: 419.4
BDBM50127468
Wt: 451.4
BDBM50127469
Wt: 479.5
BDBM50127470
Wt: 493.5
BDBM50127471
Wt: 586.6
BDBM50127472
Wt: 508.5
BDBM50127474
Wt: 391.4
BDBM50127475
Wt: 433.5
BDBM50127481
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 74 hits for monomerid = 50127452,50127453,50127455,50127456,50127464,50127466,50127467,50127468,50127469,50127470,50127471,50127472,50127474,50127475,50127481   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
ADAM17


(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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177n/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)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127464
PNG
(4-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COC(=O)CC[C@@H](N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C23H29N3O9S/c1-32-17-10-15(11-18(12-17)33-2)14-35-16-4-6-21-19(13-16)24-8-9-26(36(21,30)31)20(23(28)25-29)5-7-22(27)34-3/h4,6,10-13,20,24,29H,5,7-9,14H2,1-3H3,(H,25,28)/t20-/m1/s1
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177n/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)

More data for this
Ligand-Target Pair
ADAM17


(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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229n/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)

More data for this
Ligand-Target Pair
Collagenase


(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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231n/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)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127453
PNG
(4-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1
Show InChI InChI=1S/C25H33N3O9S/c1-4-35-19-12-17(13-20(14-19)36-5-2)16-37-18-6-8-23-21(15-18)26-10-11-28(38(23,32)33)22(25(30)27-31)7-9-24(29)34-3/h6,8,12-15,22,26,31H,4-5,7,9-11,16H2,1-3H3,(H,27,30)/t22-/m1/s1
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242n/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)

More data for this
Ligand-Target Pair
Collagenase


(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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332n/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)

More data for this
Ligand-Target Pair
Collagenase


(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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391n/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)

More data for this
Ligand-Target Pair
Collagenase


(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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491n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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548n/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-1 (MMP-1)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
Collagenase


(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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647n/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)

More data for this
Ligand-Target Pair
Collagenase


(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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690n/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)

More data for this
Ligand-Target Pair
ADAM17


(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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705n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50127453
PNG
(4-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1
Show InChI InChI=1S/C25H33N3O9S/c1-4-35-19-12-17(13-20(14-19)36-5-2)16-37-18-6-8-23-21(15-18)26-10-11-28(38(23,32)33)22(25(30)27-31)7-9-24(29)34-3/h6,8,12-15,22,26,31H,4-5,7,9-11,16H2,1-3H3,(H,27,30)/t22-/m1/s1
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960n/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)

More data for this
Ligand-Target Pair
Collagenase


(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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981n/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)

More data for this
Ligand-Target Pair
Collagenase


(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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1.38E+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-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50127464
PNG
(4-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COC(=O)CC[C@@H](N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C23H29N3O9S/c1-32-17-10-15(11-18(12-17)33-2)14-35-16-4-6-21-19(13-16)24-8-9-26(36(21,30)31)20(23(28)25-29)5-7-22(27)34-3/h4,6,10-13,20,24,29H,5,7-9,14H2,1-3H3,(H,25,28)/t20-/m1/s1
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1.60E+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-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
Collagenase


(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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>2.13E+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)

More data for this
Ligand-Target Pair
Collagenase


(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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>2.13E+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)

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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>2.13E+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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127464
PNG
(4-[7-(3,5-Dimethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-t...)
Show SMILES COC(=O)CC[C@@H](N1CCNc2cc(OCc3cc(OC)cc(OC)c3)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C23H29N3O9S/c1-32-17-10-15(11-18(12-17)33-2)14-35-16-4-6-21-19(13-16)24-8-9-26(36(21,30)31)20(23(28)25-29)5-7-22(27)34-3/h4,6,10-13,20,24,29H,5,7-9,14H2,1-3H3,(H,25,28)/t20-/m1/s1
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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
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
Collagenase


(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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>2.13E+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)

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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>2.13E+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)

More data for this
Ligand-Target Pair
Collagenase


(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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>2.13E+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)

More data for this
Ligand-Target Pair
Collagenase


(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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>2.13E+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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127453
PNG
(4-[7-(3,5-Diethoxy-benzyloxy)-1,1-dioxo-1,3,4,5-te...)
Show SMILES CCOc1cc(COc2ccc3c(NCCN([C@H](CCC(=O)OC)C(=O)NO)S3(=O)=O)c2)cc(OCC)c1
Show InChI InChI=1S/C25H33N3O9S/c1-4-35-19-12-17(13-20(14-19)36-5-2)16-37-18-6-8-23-21(15-18)26-10-11-28(38(23,32)33)22(25(30)27-31)7-9-24(29)34-3/h6,8,12-15,22,26,31H,4-5,7,9-11,16H2,1-3H3,(H,27,30)/t22-/m1/s1
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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
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
Collagenase


(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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>2.13E+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)

More data for this
Ligand-Target Pair
Collagenase


(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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>2.13E+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)

More data for this
Ligand-Target Pair
Collagenase


(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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3.00E+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-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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>4.95E+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-1 (MMP-1)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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>4.95E+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-1 (MMP-1)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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>4.95E+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-1 (MMP-1)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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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>4.95E+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-1 (MMP-1)


J Med Chem 46: 1811-23 (2003)

More data for this
Ligand-Target Pair
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