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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase 11'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482209
PNG
(CHEMBL1165176)
Show SMILES Cl.N=c1[nH]c(=O)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C20H15N7OS.ClH/c21-17-15-16(11-6-2-1-3-7-11)24-20(27-18(15)26-19(28)25-17)29-10-14-22-12-8-4-5-9-13(12)23-14;/h1-9H,10H2,(H,22,23)(H3,21,24,25,26,27,28);1H
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n/an/a 1.10n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482224
PNG
(CHEMBL1163280)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C30H24N8O3S/c31-18-23-27(20-6-2-1-3-7-20)34-30(42-19-26-32-24-8-4-5-9-25(24)33-26)35-28(23)36-14-16-37(17-15-36)29(39)21-10-12-22(13-11-21)38(40)41/h1-13H,14-17,19H2,(H,32,33)
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n/an/a 1.30n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482222
PNG
(CHEMBL1164658)
Show SMILES CN1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C24H23N7S/c1-30-11-13-31(14-12-30)23-18(15-25)22(17-7-3-2-4-8-17)28-24(29-23)32-16-21-26-19-9-5-6-10-20(19)27-21/h2-10H,11-14,16H2,1H3,(H,26,27)
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n/an/a 2.40n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50480363
PNG
(CHEMBL449897)
Show SMILES COc1c(O)c(C(=O)\C=C\Nc2ccncc2)c(OC)c2ccoc12
Show InChI InChI=1S/C18H16N2O5/c1-23-16-12-6-10-25-17(12)18(24-2)15(22)14(16)13(21)5-9-20-11-3-7-19-8-4-11/h3-10,22H,1-2H3,(H,19,20)/b9-5+
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n/an/a 2.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482226
PNG
(CHEMBL1164111)
Show SMILES N#Cc1c(Nc2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1
Show InChI InChI=1S/C25H18N6S/c26-15-19-23(17-9-3-1-4-10-17)30-25(31-24(19)27-18-11-5-2-6-12-18)32-16-22-28-20-13-7-8-14-21(20)29-22/h1-14H,16H2,(H,28,29)(H,27,30,31)
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n/an/a 2.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482207
PNG
(CHEMBL1164321)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C29H24N8O4S2/c30-18-21-27(20-8-2-1-3-9-20)33-29(42-19-26-31-22-10-4-5-11-23(22)32-26)34-28(21)35-14-16-36(17-15-35)43(40,41)25-13-7-6-12-24(25)37(38)39/h1-13H,14-17,19H2,(H,31,32)
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n/an/a 2.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482208
PNG
(CHEMBL1165254)
Show SMILES CCNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C21H18N6S/c1-2-23-20-15(12-22)19(14-8-4-3-5-9-14)26-21(27-20)28-13-18-24-16-10-6-7-11-17(16)25-18/h3-11H,2,13H2,1H3,(H,24,25)(H,23,26,27)
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n/an/a 2.60n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50404889
PNG
(CHEMBL303714)
Show SMILES NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11)
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PubMed
n/an/a 2.80n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50480365
PNG
(CHEMBL466909)
Show SMILES COc1c(O)c(C(=O)C2=CN3C=CNC=C3N=C2)c(OC)c2ccoc12
Show InChI InChI=1S/C18H15N3O5/c1-24-16-11-3-6-26-17(11)18(25-2)15(23)13(16)14(22)10-7-20-12-8-19-4-5-21(12)9-10/h3-9,19,23H,1-2H3
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n/an/a 2.80n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50480366
PNG
(CHEMBL513819)
Show SMILES COc1c(C(=O)C2=CN3C(Nc4ccccc34)=CN=C2)c(O)cc2occc12
Show InChI InChI=1S/C21H15N3O4/c1-27-21-13-6-7-28-17(13)8-16(25)19(21)20(26)12-9-22-10-18-23-14-4-2-3-5-15(14)24(18)11-12/h2-11,23,25H,1H3
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n/an/a 2.90n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482211
PNG
(CHEMBL1164678)
Show SMILES Clc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C19H12ClN5S/c20-18-13(10-21)17(12-6-2-1-3-7-12)24-19(25-18)26-11-16-22-14-8-4-5-9-15(14)23-16/h1-9H,11H2,(H,22,23)
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n/an/a 2.90n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482225
PNG
(CHEMBL1165091)
Show SMILES O=C(CN1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N)c1ccccc1
Show InChI InChI=1S/C31H27N7OS/c32-19-24-29(23-11-5-2-6-12-23)35-31(40-21-28-33-25-13-7-8-14-26(25)34-28)36-30(24)38-17-15-37(16-18-38)20-27(39)22-9-3-1-4-10-22/h1-14H,15-18,20-21H2,(H,33,34)
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n/an/a 2.90n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50480360
PNG
(CHEMBL466908)
Show SMILES COc1c(O)c(C(=O)C2=CN3C=CC=CC3N=C2)c(OC)c2ccoc12
Show InChI InChI=1S/C19H16N2O5/c1-24-17-12-6-8-26-18(12)19(25-2)16(23)14(17)15(22)11-9-20-13-5-3-4-7-21(13)10-11/h3-10,13,23H,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482216
PNG
(CHEMBL1163925)
Show SMILES N#Cc1c(Nc2nccs2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1
Show InChI InChI=1S/C22H15N7S2/c23-12-15-19(14-6-2-1-3-7-14)27-22(29-20(15)28-21-24-10-11-30-21)31-13-18-25-16-8-4-5-9-17(16)26-18/h1-11H,13H2,(H,25,26)(H,24,27,28,29)
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n/an/a 3.20n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50480364
PNG
(CHEMBL468539)
Show SMILES COc1c2occc2c(OC)c2c1occ(C=O)c2=O
Show InChI InChI=1S/C14H10O6/c1-17-11-8-3-4-19-12(8)14(18-2)13-9(11)10(16)7(5-15)6-20-13/h3-6H,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482215
PNG
(CHEMBL1164611)
Show SMILES O=S(=O)(N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N)c1ccccc1
Show InChI InChI=1S/C29H25N7O2S2/c30-19-23-27(21-9-3-1-4-10-21)33-29(39-20-26-31-24-13-7-8-14-25(24)32-26)34-28(23)35-15-17-36(18-16-35)40(37,38)22-11-5-2-6-12-22/h1-14H,15-18,20H2,(H,31,32)
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n/an/a 3.30n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50480362
PNG
(CHEMBL466114)
Show SMILES COc1c(O)c(C(=O)C2=CN3OC(C)=NC3N=C2)c(OC)c2ccoc12
Show InChI InChI=1S/C17H15N3O6/c1-8-19-17-18-6-9(7-20(17)26-8)12(21)11-13(22)16(24-3)15-10(4-5-25-15)14(11)23-2/h4-7,17,22H,1-3H3
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n/an/a 3.30n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50480367
PNG
(CHEMBL468747)
Show SMILES COc1c(O)c(C(=O)C2=CN3C(Nc4ccccc34)=CN=C2)c(OC)c2ccoc12
Show InChI InChI=1S/C22H17N3O5/c1-28-20-13-7-8-30-21(13)22(29-2)19(27)17(20)18(26)12-9-23-10-16-24-14-5-3-4-6-15(14)25(16)11-12/h3-11,24,27H,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482228
PNG
(CHEMBL1164842)
Show SMILES Cl.N=c1[nH]c(=S)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C20H15N7S2.ClH/c21-17-15-16(11-6-2-1-3-7-11)24-20(27-18(15)26-19(28)25-17)29-10-14-22-12-8-4-5-9-13(12)23-14;/h1-9H,10H2,(H,22,23)(H3,21,24,25,26,27,28);1H
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n/an/a 3.30n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482220
PNG
(CHEMBL1163926)
Show SMILES N#Cc1c(Nc2ccccn2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1
Show InChI InChI=1S/C24H17N7S/c25-14-17-22(16-8-2-1-3-9-16)30-24(31-23(17)29-20-12-6-7-13-26-20)32-15-21-27-18-10-4-5-11-19(18)28-21/h1-13H,15H2,(H,27,28)(H,26,29,30,31)
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n/an/a 3.90n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50480359
PNG
(CHEMBL466907)
Show SMILES COc1c(C(=O)c2cnc3nc4ccccc4n3c2)c(O)c(OC)c2occc12
Show InChI InChI=1S/C21H15N3O5/c1-27-18-12-7-8-29-19(12)20(28-2)17(26)15(18)16(25)11-9-22-21-23-13-5-3-4-6-14(13)24(21)10-11/h3-10,26H,1-2H3
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n/an/a 4n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50480361
PNG
(CHEMBL511905)
Show SMILES COc1c(O)c(C(=O)C2=CN3C=CSC3N=C2)c(OC)c2ccoc12
Show InChI InChI=1S/C17H14N2O5S/c1-22-14-10-3-5-24-15(10)16(23-2)13(21)11(14)12(20)9-7-18-17-19(8-9)4-6-25-17/h3-8,17,21H,1-2H3
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n/an/a 4.30n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482214
PNG
(CHEMBL1165174)
Show SMILES O=C(Cc1ccccc1)N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C31H27N7OS/c32-20-24-29(23-11-5-2-6-12-23)35-31(40-21-27-33-25-13-7-8-14-26(25)34-27)36-30(24)38-17-15-37(16-18-38)28(39)19-22-9-3-1-4-10-22/h1-14H,15-19,21H2,(H,33,34)
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n/an/a 4.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482227
PNG
(CHEMBL1163287)
Show SMILES CNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H16N6S/c1-22-19-14(11-21)18(13-7-3-2-4-8-13)25-20(26-19)27-12-17-23-15-9-5-6-10-16(15)24-17/h2-10H,12H2,1H3,(H,23,24)(H,22,25,26)
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n/an/a 4.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/s2
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n/an/a 5.20n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells by MTT assay


Bioorg Med Chem Lett 19: 2420-8 (2009)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/s2
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n/an/a 5.20n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482212
PNG
(CHEMBL1165809)
Show SMILES NNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C19H15N7S/c20-10-13-17(12-6-2-1-3-7-12)24-19(25-18(13)26-21)27-11-16-22-14-8-4-5-9-15(14)23-16/h1-9H,11,21H2,(H,22,23)(H,24,25,26)
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n/an/a 5.40n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482217
PNG
(CHEMBL1163847)
Show SMILES NC(=S)NNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H16N8S2/c21-10-13-17(12-6-2-1-3-7-12)25-20(26-18(13)27-28-19(22)29)30-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,28,29)(H,25,26,27)
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n/an/a 5.80n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482210
PNG
(CHEMBL1165090)
Show SMILES Oc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C19H13N5OS/c20-10-13-17(12-6-2-1-3-7-12)23-19(24-18(13)25)26-11-16-21-14-8-4-5-9-15(14)22-16/h1-9H,11H2,(H,21,22)(H,23,24,25)
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n/an/a 6.60n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482221
PNG
(CHEMBL1163277)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C30H27N7O2S2/c1-21-11-13-23(14-12-21)41(38,39)37-17-15-36(16-18-37)29-24(19-31)28(22-7-3-2-4-8-22)34-30(35-29)40-20-27-32-25-9-5-6-10-26(25)33-27/h2-14H,15-18,20H2,1H3,(H,32,33)
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n/an/a 6.80n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482213
PNG
(CHEMBL1165679)
Show SMILES N#Cc1c(Nc2ccncc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1
Show InChI InChI=1S/C24H17N7S/c25-14-18-22(16-6-2-1-3-7-16)30-24(31-23(18)27-17-10-12-26-13-11-17)32-15-21-28-19-8-4-5-9-20(19)29-21/h1-13H,15H2,(H,28,29)(H,26,27,30,31)
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n/an/a 6.80n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482219
PNG
(CHEMBL1164763)
Show SMILES N#Cc1c(nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1)N1CCNCC1
Show InChI InChI=1S/C23H21N7S/c24-14-17-21(16-6-2-1-3-7-16)28-23(29-22(17)30-12-10-25-11-13-30)31-15-20-26-18-8-4-5-9-19(18)27-20/h1-9,25H,10-13,15H2,(H,26,27)
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n/an/a 6.80n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482223
PNG
(CHEMBL1165818)
Show SMILES O=C(N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N)c1ccccc1
Show InChI InChI=1S/C30H25N7OS/c31-19-23-27(21-9-3-1-4-10-21)34-30(39-20-26-32-24-13-7-8-14-25(24)33-26)35-28(23)36-15-17-37(18-16-36)29(38)22-11-5-2-6-12-22/h1-14H,15-18,20H2,(H,32,33)
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n/an/a 7.40n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482218
PNG
(CHEMBL1163262)
Show SMILES NC(=O)Nc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H15N7OS/c21-10-13-17(12-6-2-1-3-7-12)25-20(27-18(13)26-19(22)28)29-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,25,26,27,28)
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n/an/a 7.40n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50482229
PNG
(CHEMBL1164764)
Show SMILES NC(=S)Nc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N
Show InChI InChI=1S/C20H15N7S2/c21-10-13-17(12-6-2-1-3-7-12)25-20(27-18(13)26-19(22)28)29-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,25,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay


Eur J Med Chem 45: 2336-44 (2010)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Homo sapiens (Human))
BDBM50302107
PNG
(CHEMBL567893 | Grassystatin A)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O
Show InChI InChI=1/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/s2
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of MMP11 catalytic domain after 10 to 15 mins by fluorescence assay


J Med Chem 52: 5732-47 (2009)


Article DOI: 10.1021/jm9009394
BindingDB Entry DOI: 10.7270/Q2BG2PXP
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Homo sapiens (Human))
BDBM50265077
PNG
((S)-3-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2...)
Show SMILES COc1ccccc1SC[C@H](CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t29-,32-,35+/s2
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0.230n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of MMP11


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078935
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
Show InChI InChI=1/C40H41Cl2N6O5P/c41-29-20-32(42)31-22-35(46-34(31)21-29)39(50)47-37(18-26-12-5-2-6-13-26)54(52,53)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(44)36(38(43)49)19-28-23-45-33-17-8-7-16-30(28)33/h1-8,10-13,16-17,20-23,27,36-37,45-46H,9,14-15,18-19,24,44H2,(H2,43,49)(H,47,50)(H,52,53)
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0.900n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078950
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/C40H43N6O5P/c41-38(47)36(24-31-25-43-34-21-10-8-19-32(31)34)46(42)40(49)30(18-11-16-27-12-3-1-4-13-27)26-52(50,51)37(22-28-14-5-2-6-15-28)45-39(48)35-23-29-17-7-9-20-33(29)44-35/h1-10,12-15,17,19-21,23,25,30,36-37,43-44H,11,16,18,22,24,26,42H2,(H2,41,47)(H,45,48)(H,50,51)
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1.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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2n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078945
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1/C39H44ClN6O5P/c40-31-17-10-18-32(23-31)43-25-36(47)45-37(21-28-13-5-2-6-14-28)52(50,51)26-29(16-9-15-27-11-3-1-4-12-27)39(49)46(42)35(38(41)48)22-30-24-44-34-20-8-7-19-33(30)34/h1-8,10-14,17-20,23-24,29,35,37,43-44H,9,15-16,21-22,25-26,42H2,(H2,41,48)(H,45,47)(H,50,51)
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3.80n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078932
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1/C41H43N6O5P/c42-39(48)37(25-32-26-44-35-21-10-8-19-33(32)35)47(43)41(50)31(18-11-16-28-12-3-1-4-13-28)27-53(51,52)38(24-29-14-5-2-6-15-29)46-40(49)36-23-22-30-17-7-9-20-34(30)45-36/h1-10,12-15,17,19-23,26,31,37-38,44H,11,16,18,24-25,27,43H2,(H2,42,48)(H,46,49)(H,51,52)
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4.20n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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5n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP11


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31?,35-,36?/m1/s1
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078938
PNG
((2-{N-[1-Carbamoyl-2-(1H-indol-3-yl)-ethyl]-hydraz...)
Show SMILES NN(C(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
Show InChI InChI=1/C41H40Cl2N5O7P/c42-30-19-28-20-32(41(52)55-37(28)33(43)22-30)39(50)47-36(18-26-12-5-2-6-13-26)56(53,54)24-27(15-9-14-25-10-3-1-4-11-25)40(51)48(45)35(38(44)49)21-29-23-46-34-17-8-7-16-31(29)34/h1-8,10-13,16-17,19-20,22-23,27,35-36,46H,9,14-15,18,21,24,45H2,(H2,44,49)(H,47,50)(H,53,54)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-11


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase 11


(Homo sapiens (Human))
BDBM50393211
PNG
(CHEMBL2153737)
Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t30-,34+,35-/s2
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5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of MMP-11


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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8n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
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