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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase 9' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 9


(Mus musculus)
BDBM50078571
PNG
((R)-2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)[C@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C33H35N3O6S2/c1-42-28-17-19-29(20-18-28)44(40,41)36(30(33(38)35-39)21-22-43-24-25-11-5-2-6-12-25)23-31(37)34-32(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20,30,32,39H,21-24H2,1H3,(H,34,37)(H,35,38)/t30-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibitory concentration required against matrix metalloprotease-9 (MMP-9 gelatinase B)


Bioorg Med Chem Lett 9: 1691-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50078568
PNG
((S)-4-Benzylsulfanyl-2-[(biphenyl-4-sulfonyl)-isob...)
Show SMILES CC(C)CN([C@@H](CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H32N2O4S2/c1-21(2)19-29(26(27(30)28-31)17-18-34-20-22-9-5-3-6-10-22)35(32,33)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)/t26-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibitory concentration required against matrix metalloprotease-9 (MMP-9 gelatinase B)


Bioorg Med Chem Lett 9: 1691-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibitory concentration required against matrix metalloprotease-9 (MMP-9 gelatinase B)


Bioorg Med Chem Lett 9: 1691-6 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116272
PNG
((2-Aminomethyl-1H-benzoimidazol-5-yl)-(2-benzyloxy...)
Show SMILES NCc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C22H22N4O/c23-13-22-25-19-11-10-18(12-20(19)26-22)24-14-17-8-4-5-9-21(17)27-15-16-6-2-1-3-7-16/h1-12,24H,13-15,23H2,(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116272
PNG
((2-Aminomethyl-1H-benzoimidazol-5-yl)-(2-benzyloxy...)
Show SMILES NCc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C22H22N4O/c23-13-22-25-19-11-10-18(12-20(19)26-22)24-14-17-8-4-5-9-21(17)27-15-16-6-2-1-3-7-16/h1-12,24H,13-15,23H2,(H,25,26)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116281
PNG
(CHEMBL73945 | N-(2-Aminomethyl-3H-benzoimidazol-5-...)
Show SMILES NCc1nc2ccc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C22H18N4O2/c23-13-20-25-18-11-10-17(12-19(18)26-20)24-22(28)16-8-6-15(7-9-16)21(27)14-4-2-1-3-5-14/h1-12H,13,23H2,(H,24,28)(H,25,26)
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116273
PNG
(CHEMBL306862 | N-(2-Aminomethyl-3H-benzoimidazol-5...)
Show SMILES NCc1nc2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C22H20N4O2/c23-13-21-25-18-11-10-16(12-19(18)26-21)24-22(27)17-8-4-5-9-20(17)28-14-15-6-2-1-3-7-15/h1-12H,13-14,23H2,(H,24,27)(H,25,26)
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116274
PNG
((2-Aminomethyl-3H-benzoimidazol-5-yl)-(4-benzyloxy...)
Show SMILES NCc1nc2ccc(NCc3ccc(OCc4ccccc4)cc3)cc2[nH]1
Show InChI InChI=1S/C22H22N4O/c23-13-22-25-20-11-8-18(12-21(20)26-22)24-14-16-6-9-19(10-7-16)27-15-17-4-2-1-3-5-17/h1-12,24H,13-15,23H2,(H,25,26)
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116278
PNG
((2-Aminomethyl-3H-benzoimidazol-5-yl)-(2-phenylsul...)
Show SMILES NCc1nc2ccc(NCc3ccccc3Sc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C21H20N4S/c22-13-21-24-18-11-10-16(12-19(18)25-21)23-14-15-6-4-5-9-20(15)26-17-7-2-1-3-8-17/h1-12,23H,13-14,22H2,(H,24,25)
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n/an/a 5.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116284
PNG
((2-Aminomethyl-1H-indol-5-yl)-(2-benzyloxy-benzyl)...)
Show SMILES NCc1cc2cc(NCc3ccccc3OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C23H23N3O/c24-14-21-13-19-12-20(10-11-22(19)26-21)25-15-18-8-4-5-9-23(18)27-16-17-6-2-1-3-7-17/h1-13,25-26H,14-16,24H2
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n/an/a 7.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116275
PNG
(CHEMBL68315 | N-(2-Aminomethyl-3H-benzoimidazol-5-...)
Show SMILES NCc1nc2ccc(NC(=O)C=Cc3c(F)cccc3F)cc2[nH]1
Show InChI InChI=1S/C17H14F2N4O/c18-12-2-1-3-13(19)11(12)5-7-17(24)21-10-4-6-14-15(8-10)23-16(9-20)22-14/h1-8H,9,20H2,(H,21,24)(H,22,23)
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116280
PNG
(CHEMBL73117 | N-(2-Aminomethyl-3H-benzoimidazol-5-...)
Show SMILES CC(=O)N(Cc1ccccc1OCc1ccccc1)c1ccc2nc(CN)[nH]c2c1
Show InChI InChI=1S/C24H24N4O2/c1-17(29)28(20-11-12-21-22(13-20)27-24(14-25)26-21)15-19-9-5-6-10-23(19)30-16-18-7-3-2-4-8-18/h2-13H,14-16,25H2,1H3,(H,26,27)
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n/an/a 8.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116271
PNG
(CHEMBL70273 | N-(2-Aminomethyl-3H-benzoimidazol-5-...)
Show SMILES NCc1nc2ccc(NC(=O)C=Cc3cccnc3)cc2[nH]1
Show InChI InChI=1S/C16H15N5O/c17-9-15-20-13-5-4-12(8-14(13)21-15)19-16(22)6-3-11-2-1-7-18-10-11/h1-8,10H,9,17H2,(H,19,22)(H,20,21)
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n/an/a 8.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116285
PNG
((2-Aminomethyl-3H-benzoimidazol-5-yl)-cyclohex-3-e...)
Show SMILES NCc1nc2ccc(NCC3CCC=CC3)cc2[nH]1
Show InChI InChI=1S/C15H20N4/c16-9-15-18-13-7-6-12(8-14(13)19-15)17-10-11-4-2-1-3-5-11/h1-2,6-8,11,17H,3-5,9-10,16H2,(H,18,19)
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n/an/a 9.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116276
PNG
(CHEMBL71547 | N-[5-(2-Benzyloxy-benzylamino)-1H-be...)
Show SMILES CC(=O)NCc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C24H24N4O2/c1-17(29)25-15-24-27-21-12-11-20(13-22(21)28-24)26-14-19-9-5-6-10-23(19)30-16-18-7-3-2-4-8-18/h2-13,26H,14-16H2,1H3,(H,25,29)(H,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116279
PNG
(CHEMBL71110 | [5-(2-Benzyloxy-benzylamino)-1H-benz...)
Show SMILES OCc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C22H21N3O2/c26-14-22-24-19-11-10-18(12-20(19)25-22)23-13-17-8-4-5-9-21(17)27-15-16-6-2-1-3-7-16/h1-12,23,26H,13-15H2,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116282
PNG
((2-Aminomethyl-3H-benzoimidazol-5-yl)-benzyl-amine...)
Show SMILES NCc1nc2ccc(NCc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C15H16N4/c16-9-15-18-13-7-6-12(8-14(13)19-15)17-10-11-4-2-1-3-5-11/h1-8,17H,9-10,16H2,(H,18,19)
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n/an/a 1.95E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116283
PNG
((2-Benzyloxy-benzyl)-(2-methyl-1H-benzoimidazol-5-...)
Show SMILES Cc1nc2ccc(NCc3ccccc3OCc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C22H21N3O/c1-16-24-20-12-11-19(13-21(20)25-16)23-14-18-9-5-6-10-22(18)26-15-17-7-3-2-4-8-17/h2-13,23H,14-15H2,1H3,(H,24,25)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 9


(Mus musculus)
BDBM50116277
PNG
(2-Aminomethyl-3H-benzoimidazol-5-ylamine | CHEMBL3...)
Show SMILES NCc1nc2ccc(N)cc2[nH]1
Show InChI InChI=1S/C8H10N4/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4,9-10H2,(H,11,12)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined against murine gelatinase B


Bioorg Med Chem Lett 12: 2201-4 (2002)

More data for this
Ligand-Target Pair