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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'moya' and Initial = 'p'   
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
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50135527
PNG
((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |r|
Show InChI InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488037
PNG
(CHEMBL2269636)
Show SMILES CCCCCCCC1=C(C)C(=O)N2CC\C(=N/O)C2O1 |c:7|
Show InChI InChI=1S/C15H24N2O3/c1-3-4-5-6-7-8-13-11(2)14(18)17-10-9-12(16-19)15(17)20-13/h15,19H,3-10H2,1-2H3/b16-12+
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n/an/a 270n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488033
PNG
(CHEMBL2269635)
Show SMILES CC(C1=C(C)C(=O)N2CC\C(=N/O)C2O1)c1cccc(Oc2ccccc2)c1 |c:2|
Show InChI InChI=1S/C22H22N2O4/c1-14(16-7-6-10-18(13-16)27-17-8-4-3-5-9-17)20-15(2)21(25)24-12-11-19(23-26)22(24)28-20/h3-10,13-14,22,26H,11-12H2,1-2H3/b23-19+
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n/an/a 920n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488037
PNG
(CHEMBL2269636)
Show SMILES CCCCCCCC1=C(C)C(=O)N2CC\C(=N/O)C2O1 |c:7|
Show InChI InChI=1S/C15H24N2O3/c1-3-4-5-6-7-8-13-11(2)14(18)17-10-9-12(16-19)15(17)20-13/h15,19H,3-10H2,1-2H3/b16-12+
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n/an/a 1.52E+3n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH-ubiquinone oxidoreductase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488034
PNG
(CHEMBL2269638)
Show SMILES CC(C1=C(C)C(=O)N2CCC(O)C2O1)c1cccc(Oc2ccccc2)c1 |c:2|
Show InChI InChI=1S/C22H23NO4/c1-14(20-15(2)21(25)23-12-11-19(24)22(23)27-20)16-7-6-10-18(13-16)26-17-8-4-3-5-9-17/h3-10,13-14,19,22,24H,11-12H2,1-2H3
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n/an/a 3.13E+3n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488034
PNG
(CHEMBL2269638)
Show SMILES CC(C1=C(C)C(=O)N2CCC(O)C2O1)c1cccc(Oc2ccccc2)c1 |c:2|
Show InChI InChI=1S/C22H23NO4/c1-14(20-15(2)21(25)23-12-11-19(24)22(23)27-20)16-7-6-10-18(13-16)26-17-8-4-3-5-9-17/h3-10,13-14,19,22,24H,11-12H2,1-2H3
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n/an/a 3.13E+3n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488033
PNG
(CHEMBL2269635)
Show SMILES CC(C1=C(C)C(=O)N2CC\C(=N/O)C2O1)c1cccc(Oc2ccccc2)c1 |c:2|
Show InChI InChI=1S/C22H22N2O4/c1-14(16-7-6-10-18(13-16)27-17-8-4-3-5-9-17)20-15(2)21(25)24-12-11-19(23-26)22(24)28-20/h3-10,13-14,22,26H,11-12H2,1-2H3/b23-19+
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n/an/a 3.44E+3n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH-ubiquinone oxidoreductase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488035
PNG
(CHEMBL2269864)
Show SMILES CC(C(=O)C(C)c1cccc(Oc2ccccc2)c1)C(=O)N1CCC=C1 |c:26|
Show InChI InChI=1S/C22H23NO3/c1-16(21(24)17(2)22(25)23-13-6-7-14-23)18-9-8-12-20(15-18)26-19-10-4-3-5-11-19/h3-6,8-13,15-17H,7,14H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488035
PNG
(CHEMBL2269864)
Show SMILES CC(C(=O)C(C)c1cccc(Oc2ccccc2)c1)C(=O)N1CCC=C1 |c:26|
Show InChI InChI=1S/C22H23NO3/c1-16(21(24)17(2)22(25)23-13-6-7-14-23)18-9-8-12-20(15-18)26-19-10-4-3-5-11-19/h3-6,8-13,15-17H,7,14H2,1-2H3
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Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488038
PNG
(CHEBI:70402 | CHEMBL2269640)
Show SMILES CCCCCCCC(=O)C(C)C(=O)N1CCC=C1 |c:16|
Show InChI InChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h8,11,13H,3-7,9-10,12H2,1-2H3
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n/an/a 4.55E+3n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50562662
PNG
(CHEMBL4741456)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2cccs2)cc1
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50562662
PNG
(CHEMBL4741456)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2cccs2)cc1
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n/an/a 5.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50562662
PNG
(CHEMBL4741456)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2cccs2)cc1
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n/an/a 6.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50562666
PNG
(CHEMBL4758787)
Show SMILES O=c1[nH]c2ccccc2c2cc(cc(Nc3ccccc3)c12)-c1cccs1
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n/an/a 6.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50562668
PNG
(CHEMBL4781893)
Show SMILES Fc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2cccs2)cc1
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n/an/a 6.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488039
PNG
(CHEMBL2269639)
Show SMILES CC(C(=O)N1CCC=C1)c1cccc(Oc2ccccc2)c1 |c:7|
Show InChI InChI=1S/C19H19NO2/c1-15(19(21)20-12-5-6-13-20)16-8-7-11-18(14-16)22-17-9-3-2-4-10-17/h2-5,7-12,14-15H,6,13H2,1H3
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n/an/a 6.82E+3n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50562662
PNG
(CHEMBL4741456)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2cccs2)cc1
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP8 (99 to 269 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system a...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488031
PNG
(CHEMBL2269631)
Show SMILES CCCCCCCCC(=O)CC(=O)c1ccc[nH]1
Show InChI InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-9-13(17)12-15(18)14-10-8-11-16-14/h8,10-11,16H,2-7,9,12H2,1H3
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n/an/a 8.60E+3n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50562663
PNG
(CHEMBL4777608)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2ccco2)cc1
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50562663
PNG
(CHEMBL4777608)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2ccco2)cc1
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488034
PNG
(CHEMBL2269638)
Show SMILES CC(C1=C(C)C(=O)N2CCC(O)C2O1)c1cccc(Oc2ccccc2)c1 |c:2|
Show InChI InChI=1S/C22H23NO4/c1-14(20-15(2)21(25)23-12-11-19(24)22(23)27-20)16-7-6-10-18(13-16)26-17-8-4-3-5-9-17/h3-10,13-14,19,22,24H,11-12H2,1-2H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH-ubiquinone oxidoreductase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488034
PNG
(CHEMBL2269638)
Show SMILES CC(C1=C(C)C(=O)N2CCC(O)C2O1)c1cccc(Oc2ccccc2)c1 |c:2|
Show InChI InChI=1S/C22H23NO4/c1-14(20-15(2)21(25)23-12-11-19(24)22(23)27-20)16-7-6-10-18(13-16)26-17-8-4-3-5-9-17/h3-10,13-14,19,22,24H,11-12H2,1-2H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH-ubiquinone oxidoreductase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50562653
PNG
(CHEMBL4741270)
Show SMILES O=c1[nH]c2ccccc2c2cc(cc(Nc3ccccc3)c12)-c1ccccc1
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n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488031
PNG
(CHEMBL2269631)
Show SMILES CCCCCCCCC(=O)CC(=O)c1ccc[nH]1
Show InChI InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-9-13(17)12-15(18)14-10-8-11-16-14/h8,10-11,16H,2-7,9,12H2,1H3
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n/an/a 1.43E+4n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH-ubiquinone oxidoreductase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50562663
PNG
(CHEMBL4777608)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2ccco2)cc1
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n/an/a 1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50562666
PNG
(CHEMBL4758787)
Show SMILES O=c1[nH]c2ccccc2c2cc(cc(Nc3ccccc3)c12)-c1cccs1
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n/an/a 1.56E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50562668
PNG
(CHEMBL4781893)
Show SMILES Fc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2cccs2)cc1
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n/an/a 1.58E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50562666
PNG
(CHEMBL4758787)
Show SMILES O=c1[nH]c2ccccc2c2cc(cc(Nc3ccccc3)c12)-c1cccs1
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n/an/a 1.61E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488035
PNG
(CHEMBL2269864)
Show SMILES CC(C(=O)C(C)c1cccc(Oc2ccccc2)c1)C(=O)N1CCC=C1 |c:26|
Show InChI InChI=1S/C22H23NO3/c1-16(21(24)17(2)22(25)23-13-6-7-14-23)18-9-8-12-20(15-18)26-19-10-4-3-5-11-19/h3-6,8-13,15-17H,7,14H2,1-2H3
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n/an/a 1.64E+4n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH-ubiquinone oxidoreductase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50562654
PNG
(CHEMBL4756447)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2ccccc2)cc1
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n/an/a 1.64E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488035
PNG
(CHEMBL2269864)
Show SMILES CC(C(=O)C(C)c1cccc(Oc2ccccc2)c1)C(=O)N1CCC=C1 |c:26|
Show InChI InChI=1S/C22H23NO3/c1-16(21(24)17(2)22(25)23-13-6-7-14-23)18-9-8-12-20(15-18)26-19-10-4-3-5-11-19/h3-6,8-13,15-17H,7,14H2,1-2H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH-ubiquinone oxidoreductase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50562666
PNG
(CHEMBL4758787)
Show SMILES O=c1[nH]c2ccccc2c2cc(cc(Nc3ccccc3)c12)-c1cccs1
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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP8 (99 to 269 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system a...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50562668
PNG
(CHEMBL4781893)
Show SMILES Fc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2cccs2)cc1
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n/an/a 2.01E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50562660
PNG
(CHEMBL4753504)
Show SMILES COc1ccc(Nc2cc(cc3c4ccc(OC)c(OC)c4[nH]c(=O)c23)-c2ccccc2)cc1
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n/an/a 2.05E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50562670
PNG
(CHEMBL4751596)
Show SMILES Cc1cc(C)cc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2ccco2)c1
PDB
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n/an/a 2.16E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50562654
PNG
(CHEMBL4756447)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2ccccc2)cc1
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n/an/a 2.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50562663
PNG
(CHEMBL4777608)
Show SMILES COc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2ccco2)cc1
PDB
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n/an/a 2.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP8 (99 to 269 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system a...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50562667
PNG
(CHEMBL4742183)
Show SMILES O=c1[nH]c2ccccc2c2cc(cc(Nc3ccccc3)c12)-c1ccco1
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n/an/a 2.54E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50562668
PNG
(CHEMBL4781893)
Show SMILES Fc1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2cccs2)cc1
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n/an/a 2.65E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP8 (99 to 269 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system a...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50562657
PNG
(CHEMBL4800543)
Show SMILES Nc1ccc(cc1)-c1cc(Nc2ccccc2)c2c(c1)c1ccccc1[nH]c2=O
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50562659
PNG
(CHEMBL4757741)
Show SMILES COc1ccc(cc1)-c1cc(Nc2ccccc2)c2c(c1)c1ccccc1[nH]c2=O
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n/an/a 3.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50562657
PNG
(CHEMBL4800543)
Show SMILES Nc1ccc(cc1)-c1cc(Nc2ccccc2)c2c(c1)c1ccccc1[nH]c2=O
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n/an/a 3.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488036
PNG
(CHEMBL2269865)
Show SMILES CC(C(=O)C(C)c1cccc(Oc2ccccc2)c1)C(=O)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C22H25NO4/c1-15(21(25)16(2)22(26)23-12-11-18(24)14-23)17-7-6-10-20(13-17)27-19-8-4-3-5-9-19/h3-10,13,15-16,18,24H,11-12,14H2,1-2H3/t15?,16?,18-/m0/s1
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n/an/a 3.62E+4n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))
BDBM50488036
PNG
(CHEMBL2269865)
Show SMILES CC(C(=O)C(C)c1cccc(Oc2ccccc2)c1)C(=O)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C22H25NO4/c1-15(21(25)16(2)22(26)23-12-11-18(24)14-23)17-7-6-10-20(13-17)27-19-8-4-3-5-9-19/h3-10,13,15-16,18,24H,11-12,14H2,1-2H3/t15?,16?,18-/m0/s1
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n/an/a 3.63E+4n/an/an/an/an/an/a



Universidad Polit£cnica de Valencia

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity


J Agric Food Chem 53: 8296-301 (2005)


Article DOI: 10.1021/jf058075f
BindingDB Entry DOI: 10.7270/Q2B85C1C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50562660
PNG
(CHEMBL4753504)
Show SMILES COc1ccc(Nc2cc(cc3c4ccc(OC)c(OC)c4[nH]c(=O)c23)-c2ccccc2)cc1
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n/an/a 3.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50562658
PNG
(CHEMBL4747482)
Show SMILES Cc1ccc(cc1)-c1cc(Nc2ccccc2)c2c(c1)c1ccccc1[nH]c2=O
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n/an/a 3.75E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50562661
PNG
(CHEMBL4747924)
Show SMILES CCCCNc1cc(cc2c3ccccc3[nH]c(=O)c12)-c1cccs1
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n/an/a 3.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrat...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50562659
PNG
(CHEMBL4757741)
Show SMILES COc1ccc(cc1)-c1cc(Nc2ccccc2)c2c(c1)c1ccccc1[nH]c2=O
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n/an/a 4.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50562655
PNG
(CHEMBL4780502)
Show SMILES CN(C)c1ccc(Nc2cc(cc3c4ccccc4[nH]c(=O)c23)-c2ccccc2)cc1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50562658
PNG
(CHEMBL4747482)
Show SMILES Cc1ccc(cc1)-c1cc(Nc2ccccc2)c2c(c1)c1ccccc1[nH]c2=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113061
BindingDB Entry DOI: 10.7270/Q2FX7F6P
More data for this
Ligand-Target Pair
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