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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-2' 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-2


(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 2.30n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


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

More data for this
Ligand-Target Pair
Matrix metalloproteinase-2


(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 4.10n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


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

More data for this
Ligand-Target Pair
Matrix metalloproteinase-2


(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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PubMed
n/an/a 15n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


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

More data for this
Ligand-Target Pair