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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM13080'   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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Article
PubMed
n/an/a 0.590n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116626
BindingDB Entry DOI: 10.7270/Q2Q52TPH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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Article
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n/an/a 2n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15...


Bioorg Med Chem 23: 6632-40 (2015)


Article DOI: 10.1016/j.bmc.2015.09.013
BindingDB Entry DOI: 10.7270/Q29025M9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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n/an/a 2.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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Article
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n/an/a 9.10n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 using thiopeptide as substrate preincubated for 30 mins followed by substrate addition and measured every mins f...


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111563
BindingDB Entry DOI: 10.7270/Q2862KWM
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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Article
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n/an/a 13n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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Article
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n/an/a 13n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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n/an/a 14n/an/an/an/an/an/a



Tianjin Medical University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis


Bioorg Med Chem 20: 5738-44 (2012)


Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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n/an/a 14n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH as substrate preincubated for 60 mins followed by substrate addition by fluorescenc...


Eur J Med Chem 150: 87-101 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.078
BindingDB Entry DOI: 10.7270/Q2SJ1P72
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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Article
PubMed
n/an/a 69n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MMP-2 (unknown origin) by colorimetric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111875
BindingDB Entry DOI: 10.7270/Q2X92FXB
More data for this
Ligand-Target Pair