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PubMed code 21925881

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
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
Collagenase 3


(Homo sapiens (Human))		BDBM50356946
PNG
(CHEMBL1916054)
Show SMILES ON1CC(CN2CCOCC2)=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:11|
Show InChI InChI=1S/C23H26ClN3O6S/c24-18-2-4-19(5-3-18)33-20-6-8-21(9-7-20)34(30,31)25-22-10-1-17(16-27(29)23(22)28)15-26-11-13-32-14-12-26/h1-9,22,25,29H,10-16H2/t22-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain (amino acids 103 to 268) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preinc...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356961
PNG
(CHEMBL1916212)
Show SMILES CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 |r,c:10|
Show InChI InChI=1S/C25H31ClN4O5S/c1-27-14-16-28(17-15-27)18-19-30(24-4-2-3-13-29(32)25(24)31)36(33,34)23-11-9-22(10-12-23)35-21-7-5-20(26)6-8-21/h2-3,5-12,24,32H,4,13-19H2,1H3/t24-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356960
PNG
(CHEMBL1916211)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C25H30ClN3O5S/c26-20-7-9-21(10-8-20)34-22-11-13-23(14-12-22)35(32,33)29(19-18-27-15-3-1-4-16-27)24-6-2-5-17-28(31)25(24)30/h2,5,7-14,24,31H,1,3-4,6,15-19H2/t24-/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356959
PNG
(CHEMBL1916210)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C24H28ClN3O6S/c25-19-4-6-20(7-5-19)34-21-8-10-22(11-9-21)35(31,32)28(14-13-26-15-17-33-18-16-26)23-3-1-2-12-27(30)24(23)29/h1-2,4-11,23,30H,3,12-18H2/t23-/m1/s1
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n/an/a 0.220n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356959
PNG
(CHEMBL1916210)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C24H28ClN3O6S/c25-19-4-6-20(7-5-19)34-21-8-10-22(11-9-21)35(31,32)28(14-13-26-15-17-33-18-16-26)23-3-1-2-12-27(30)24(23)29/h1-2,4-11,23,30H,3,12-18H2/t23-/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50356942
PNG
(CHEMBL1916050)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain (amino acids 103 to 268) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preinc...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356946
PNG
(CHEMBL1916054)
Show SMILES ON1CC(CN2CCOCC2)=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:11|
Show InChI InChI=1S/C23H26ClN3O6S/c24-18-2-4-19(5-3-18)33-20-6-8-21(9-7-20)34(30,31)25-22-10-1-17(16-27(29)23(22)28)15-26-11-13-32-14-12-26/h1-9,22,25,29H,10-16H2/t22-/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356961
PNG
(CHEMBL1916212)
Show SMILES CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 |r,c:10|
Show InChI InChI=1S/C25H31ClN4O5S/c1-27-14-16-28(17-15-27)18-19-30(24-4-2-3-13-29(32)25(24)31)36(33,34)23-11-9-22(10-12-23)35-21-7-5-20(26)6-8-21/h2-3,5-12,24,32H,4,13-19H2,1H3/t24-/m1/s1
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n/an/a 0.490n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356946
PNG
(CHEMBL1916054)
Show SMILES ON1CC(CN2CCOCC2)=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:11|
Show InChI InChI=1S/C23H26ClN3O6S/c24-18-2-4-19(5-3-18)33-20-6-8-21(9-7-20)34(30,31)25-22-10-1-17(16-27(29)23(22)28)15-26-11-13-32-14-12-26/h1-9,22,25,29H,10-16H2/t22-/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356960
PNG
(CHEMBL1916211)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C25H30ClN3O5S/c26-20-7-9-21(10-8-20)34-22-11-13-23(14-12-22)35(32,33)29(19-18-27-15-3-1-4-16-27)24-6-2-5-17-28(31)25(24)30/h2,5,7-14,24,31H,1,3-4,6,15-19H2/t24-/m1/s1
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n/an/a 0.550n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356942
PNG
(CHEMBL1916050)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
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n/an/a 0.570n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356942
PNG
(CHEMBL1916050)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
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n/an/a 0.580n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50356959
PNG
(CHEMBL1916210)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C24H28ClN3O6S/c25-19-4-6-20(7-5-19)34-21-8-10-22(11-9-21)35(31,32)28(14-13-26-15-17-33-18-16-26)23-3-1-2-12-27(30)24(23)29/h1-2,4-11,23,30H,3,12-18H2/t23-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain (amino acids 103 to 268) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preinc...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356964
PNG
(CHEMBL1916215)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N(CCN1CCOCC1)[C@@H]1CC=CCN(O)C1=O |r,c:31|
Show InChI InChI=1S/C25H29N3O5S2/c1-20-5-7-21(8-6-20)9-10-22-11-12-24(34-22)35(31,32)28(15-14-26-16-18-33-19-17-26)23-4-2-3-13-27(30)25(23)29/h2-3,5-8,11-12,23,30H,4,13-19H2,1H3/t23-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356950
PNG
(CHEMBL1916201)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N[C@@H]2CC=CCN(O)C2=O)cc1 |r,c:20|
Show InChI InChI=1S/C19H20N2O6S/c1-26-14-5-7-15(8-6-14)27-16-9-11-17(12-10-16)28(24,25)20-18-4-2-3-13-21(23)19(18)22/h2-3,5-12,18,20,23H,4,13H2,1H3/t18-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356949
PNG
(CHEMBL1916057)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H18N2O5S/c21-18-17(8-4-5-13-20(18)22)19-26(23,24)16-11-9-15(10-12-16)25-14-6-2-1-3-7-14/h1-7,9-12,17,19,22H,8,13H2/t17-/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356945
PNG
(CHEMBL1916053)
Show SMILES CC1=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N(O)C1 |r,t:1|
Show InChI InChI=1S/C19H19ClN2O5S/c1-13-2-11-18(19(23)22(24)12-13)21-28(25,26)17-9-7-16(8-10-17)27-15-5-3-14(20)4-6-15/h2-10,18,21,24H,11-12H2,1H3/t18-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356951
PNG
(CHEMBL1916202)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C19H17F3N2O5S/c20-19(21,22)13-4-6-14(7-5-13)29-15-8-10-16(11-9-15)30(27,28)23-17-3-1-2-12-24(26)18(17)25/h1-2,4-11,17,23,26H,3,12H2/t17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356950
PNG
(CHEMBL1916201)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N[C@@H]2CC=CCN(O)C2=O)cc1 |r,c:20|
Show InChI InChI=1S/C19H20N2O6S/c1-26-14-5-7-15(8-6-14)27-16-9-11-17(12-10-16)28(24,25)20-18-4-2-3-13-21(23)19(18)22/h2-3,5-12,18,20,23H,4,13H2,1H3/t18-/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356949
PNG
(CHEMBL1916057)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H18N2O5S/c21-18-17(8-4-5-13-20(18)22)19-26(23,24)16-11-9-15(10-12-16)25-14-6-2-1-3-7-14/h1-7,9-12,17,19,22H,8,13H2/t17-/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356951
PNG
(CHEMBL1916202)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C19H17F3N2O5S/c20-19(21,22)13-4-6-14(7-5-13)29-15-8-10-16(11-9-15)30(27,28)23-17-3-1-2-12-24(26)18(17)25/h1-2,4-11,17,23,26H,3,12H2/t17-/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356945
PNG
(CHEMBL1916053)
Show SMILES CC1=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N(O)C1 |r,t:1|
Show InChI InChI=1S/C19H19ClN2O5S/c1-13-2-11-18(19(23)22(24)12-13)21-28(25,26)17-9-7-16(8-10-17)27-15-5-3-14(20)4-6-15/h2-10,18,21,24H,11-12H2,1H3/t18-/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356964
PNG
(CHEMBL1916215)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N(CCN1CCOCC1)[C@@H]1CC=CCN(O)C1=O |r,c:31|
Show InChI InChI=1S/C25H29N3O5S2/c1-20-5-7-21(8-6-20)9-10-22-11-12-24(34-22)35(31,32)28(15-14-26-16-18-33-19-17-26)23-4-2-3-13-27(30)25(23)29/h2-3,5-8,11-12,23,30H,4,13-19H2,1H3/t23-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM50356956
PNG
(CHEMBL1916207)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@@H]1CC=CCN(O)C1=O |r,c:21|
Show InChI InChI=1S/C17H18N2O5S2/c1-24-13-7-5-12(6-8-13)15-9-10-16(25-15)26(22,23)18-14-4-2-3-11-19(21)17(14)20/h2-3,5-10,14,18,21H,4,11H2,1H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain (amino acids 103 to 268) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preinc...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356953
PNG
(CHEMBL1916204)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccncc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C17H17N3O5S/c21-17-16(3-1-2-12-20(17)22)19-26(23,24)15-6-4-13(5-7-15)25-14-8-10-18-11-9-14/h1-2,4-11,16,19,22H,3,12H2/t16-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356943
PNG
(CHEMBL1916051)
Show SMILES ON1CCCC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r|
Show InChI InChI=1S/C18H19ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h4-11,17,20,23H,1-3,12H2/t17-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356956
PNG
(CHEMBL1916207)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@@H]1CC=CCN(O)C1=O |r,c:21|
Show InChI InChI=1S/C17H18N2O5S2/c1-24-13-7-5-12(6-8-13)15-9-10-16(25-15)26(22,23)18-14-4-2-3-11-19(21)17(14)20/h2-3,5-10,14,18,21H,4,11H2,1H3/t14-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356954
PNG
(CHEMBL1916205)
Show SMILES Cc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@@H]1CC=CCN(O)C1=O |r,c:20|
Show InChI InChI=1S/C17H18N2O4S2/c1-12-5-7-13(8-6-12)15-9-10-16(24-15)25(22,23)18-14-4-2-3-11-19(21)17(14)20/h2-3,5-10,14,18,21H,4,11H2,1H3/t14-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356943
PNG
(CHEMBL1916051)
Show SMILES ON1CCCC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r|
Show InChI InChI=1S/C18H19ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h4-11,17,20,23H,1-3,12H2/t17-/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356963
PNG
(CHEMBL1916214)
Show SMILES Cc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CCN1CCOCC1)[C@@H]1CC=CCN(O)C1=O |r,c:29|
Show InChI InChI=1S/C23H29N3O5S2/c1-18-5-7-19(8-6-18)21-9-10-22(32-21)33(29,30)26(13-12-24-14-16-31-17-15-24)20-4-2-3-11-25(28)23(20)27/h2-3,5-10,20,28H,4,11-17H2,1H3/t20-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356954
PNG
(CHEMBL1916205)
Show SMILES Cc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@@H]1CC=CCN(O)C1=O |r,c:20|
Show InChI InChI=1S/C17H18N2O4S2/c1-12-5-7-13(8-6-12)15-9-10-16(24-15)25(22,23)18-14-4-2-3-11-19(21)17(14)20/h2-3,5-10,14,18,21H,4,11H2,1H3/t14-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356963
PNG
(CHEMBL1916214)
Show SMILES Cc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CCN1CCOCC1)[C@@H]1CC=CCN(O)C1=O |r,c:29|
Show InChI InChI=1S/C23H29N3O5S2/c1-18-5-7-19(8-6-18)21-9-10-22(32-21)33(29,30)26(13-12-24-14-16-31-17-15-24)20-4-2-3-11-25(28)23(20)27/h2-3,5-10,20,28H,4,11-17H2,1H3/t20-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356956
PNG
(CHEMBL1916207)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@@H]1CC=CCN(O)C1=O |r,c:21|
Show InChI InChI=1S/C17H18N2O5S2/c1-24-13-7-5-12(6-8-13)15-9-10-16(25-15)26(22,23)18-14-4-2-3-11-19(21)17(14)20/h2-3,5-10,14,18,21H,4,11H2,1H3/t14-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356955
PNG
(CHEMBL1916206)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(s2)-c2ccc(Cl)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C16H15ClN2O4S2/c17-12-6-4-11(5-7-12)14-8-9-15(24-14)25(22,23)18-13-3-1-2-10-19(21)16(13)20/h1-2,4-9,13,18,21H,3,10H2/t13-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356953
PNG
(CHEMBL1916204)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccncc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C17H17N3O5S/c21-17-16(3-1-2-12-20(17)22)19-26(23,24)15-6-4-13(5-7-15)25-14-8-10-18-11-9-14/h1-2,4-11,16,19,22H,3,12H2/t16-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356952
PNG
(CHEMBL1916203)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccccn3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C17H17N3O5S/c21-17-15(5-2-4-12-20(17)22)19-26(23,24)14-9-7-13(8-10-14)25-16-6-1-3-11-18-16/h1-4,6-11,15,19,22H,5,12H2/t15-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356962
PNG
(CHEMBL1916213)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(s2)-c2ccc(Cl)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C22H26ClN3O5S2/c23-18-6-4-17(5-7-18)20-8-9-21(32-20)33(29,30)26(12-11-24-13-15-31-16-14-24)19-3-1-2-10-25(28)22(19)27/h1-2,4-9,19,28H,3,10-16H2/t19-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356955
PNG
(CHEMBL1916206)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(s2)-c2ccc(Cl)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C16H15ClN2O4S2/c17-12-6-4-11(5-7-12)14-8-9-15(24-14)25(22,23)18-13-3-1-2-10-19(21)16(13)20/h1-2,4-9,13,18,21H,3,10H2/t13-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356962
PNG
(CHEMBL1916213)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(s2)-c2ccc(Cl)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C22H26ClN3O5S2/c23-18-6-4-17(5-7-18)20-8-9-21(32-20)33(29,30)26(12-11-24-13-15-31-16-14-24)19-3-1-2-10-25(28)22(19)27/h1-2,4-9,19,28H,3,10-16H2/t19-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356952
PNG
(CHEMBL1916203)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccccn3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C17H17N3O5S/c21-17-15(5-2-4-12-20(17)22)19-26(23,24)14-9-7-13(8-10-14)25-16-6-1-3-11-18-16/h1-4,6-11,15,19,22H,5,12H2/t15-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50356946
PNG
(CHEMBL1916054)
Show SMILES ON1CC(CN2CCOCC2)=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:11|
Show InChI InChI=1S/C23H26ClN3O6S/c24-18-2-4-19(5-3-18)33-20-6-8-21(9-7-20)34(30,31)25-22-10-1-17(16-27(29)23(22)28)15-26-11-13-32-14-12-26/h1-9,22,25,29H,10-16H2/t22-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain (amino acids 100 to 265) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356948
PNG
(CHEMBL1916056)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O4S/c19-15-8-4-13(5-9-15)14-6-10-16(11-7-14)26(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50356942
PNG
(CHEMBL1916050)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain (amino acids 100 to 265) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50356959
PNG
(CHEMBL1916210)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C24H28ClN3O6S/c25-19-4-6-20(7-5-19)34-21-8-10-22(11-9-21)35(31,32)28(14-13-26-15-17-33-18-16-26)23-3-1-2-12-27(30)24(23)29/h1-2,4-11,23,30H,3,12-18H2/t23-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain (amino acids 100 to 265) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM50356956
PNG
(CHEMBL1916207)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@@H]1CC=CCN(O)C1=O |r,c:21|
Show InChI InChI=1S/C17H18N2O5S2/c1-24-13-7-5-12(6-8-13)15-9-10-16(25-15)26(22,23)18-14-4-2-3-11-19(21)17(14)20/h2-3,5-10,14,18,21H,4,11H2,1H3/t14-/m1/s1
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n/an/a 493n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 catalytic domain (amino acids 100 to 265) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356944
PNG
(CHEMBL1916052)
Show SMILES Clc1ccc(Oc2ccc(cc2)S(=O)(=O)N[C@@H]2CC=CCNC2=O)cc1 |r,c:19|
Show InChI InChI=1S/C18H17ClN2O4S/c19-13-4-6-14(7-5-13)25-15-8-10-16(11-9-15)26(23,24)21-17-3-1-2-12-20-18(17)22/h1-2,4-11,17,21H,3,12H2,(H,20,22)/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356958
PNG
(CHEMBL1916209)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(cc2)N2CCN(CC2)c2ccccc2)C1=O |r,c:3|
Show InChI InChI=1S/C22H26N4O4S/c27-22-21(8-4-5-13-26(22)28)23-31(29,30)20-11-9-19(10-12-20)25-16-14-24(15-17-25)18-6-2-1-3-7-18/h1-7,9-12,21,23,28H,8,13-17H2/t21-/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50356959
PNG
(CHEMBL1916210)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C24H28ClN3O6S/c25-19-4-6-20(7-5-19)34-21-8-10-22(11-9-21)35(31,32)28(14-13-26-15-17-33-18-16-26)23-3-1-2-12-27(30)24(23)29/h1-2,4-11,23,30H,3,12-18H2/t23-/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 catalytic domain (amino acids 100 to 262) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50356942
PNG
(CHEMBL1916050)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 catalytic domain (amino acids 100 to 262) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356958
PNG
(CHEMBL1916209)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(cc2)N2CCN(CC2)c2ccccc2)C1=O |r,c:3|
Show InChI InChI=1S/C22H26N4O4S/c27-22-21(8-4-5-13-26(22)28)23-31(29,30)20-11-9-19(10-12-20)25-16-14-24(15-17-25)18-6-2-1-3-7-18/h1-7,9-12,21,23,28H,8,13-17H2/t21-/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356957
PNG
(CHEMBL1916208)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(cc2)N2CCC(CC2)c2ccccc2)C1=O |r,c:3|
Show InChI InChI=1S/C23H27N3O4S/c27-23-22(8-4-5-15-26(23)28)24-31(29,30)21-11-9-20(10-12-21)25-16-13-19(14-17-25)18-6-2-1-3-7-18/h1-7,9-12,19,22,24,28H,8,13-17H2/t22-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50356956
PNG
(CHEMBL1916207)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@@H]1CC=CCN(O)C1=O |r,c:21|
Show InChI InChI=1S/C17H18N2O5S2/c1-24-13-7-5-12(6-8-13)15-9-10-16(25-15)26(22,23)18-14-4-2-3-11-19(21)17(14)20/h2-3,5-10,14,18,21H,4,11H2,1H3/t14-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 catalytic domain (amino acids 100 to 262) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356944
PNG
(CHEMBL1916052)
Show SMILES Clc1ccc(Oc2ccc(cc2)S(=O)(=O)N[C@@H]2CC=CCNC2=O)cc1 |r,c:19|
Show InChI InChI=1S/C18H17ClN2O4S/c19-13-4-6-14(7-5-13)25-15-8-10-16(11-9-15)26(23,24)21-17-3-1-2-12-20-18(17)22/h1-2,4-11,17,21H,3,12H2,(H,20,22)/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50356946
PNG
(CHEMBL1916054)
Show SMILES ON1CC(CN2CCOCC2)=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:11|
Show InChI InChI=1S/C23H26ClN3O6S/c24-18-2-4-19(5-3-18)33-20-6-8-21(9-7-20)34(30,31)25-22-10-1-17(16-27(29)23(22)28)15-26-11-13-32-14-12-26/h1-9,22,25,29H,10-16H2/t22-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 catalytic domain (amino acids 100 to 262) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356957
PNG
(CHEMBL1916208)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(cc2)N2CCC(CC2)c2ccccc2)C1=O |r,c:3|
Show InChI InChI=1S/C23H27N3O4S/c27-23-22(8-4-5-15-26(23)28)24-31(29,30)21-11-9-20(10-12-21)25-16-13-19(14-17-25)18-6-2-1-3-7-18/h1-7,9-12,19,22,24,28H,8,13-17H2/t22-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356941
PNG
(CHEMBL1916049)
Show SMILES ON1CC=CC[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356948
PNG
(CHEMBL1916056)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O4S/c19-15-8-4-13(5-9-15)14-6-10-16(11-7-14)26(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356941
PNG
(CHEMBL1916049)
Show SMILES ON1CC=CC[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))		BDBM50356947
PNG
(CHEMBL1916055)
Show SMILES ON1CC=CC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C19H17ClN2O4/c20-14-6-10-16(11-7-14)26-15-8-4-13(5-9-15)18(23)21-17-3-1-2-12-22(25)19(17)24/h1-2,4-11,17,25H,3,12H2,(H,21,23)/t17-/m1/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM50356947
PNG
(CHEMBL1916055)
Show SMILES ON1CC=CC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C19H17ClN2O4/c20-14-6-10-16(11-7-14)26-15-8-4-13(5-9-15)18(23)21-17-3-1-2-12-22(25)19(17)24/h1-2,4-11,17,25H,3,12H2,(H,21,23)/t17-/m1/s1
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n/an/a 5.09E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...

Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%