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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50035101   
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))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.400n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.600n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095222
PNG
(CHEMBL83209 | N-Hydroxy-2-[4-(4-trifluoromethyl-ph...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O5S/c20-19(21,22)13-5-7-14(8-6-13)29-15-9-11-24(12-10-15)30(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,15,26H,9-12H2,(H,23,25)
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n/an/a 1.30n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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n/an/a 2n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095225
PNG
(2-Fluoro-N-hydroxy-6-[4-(4-trifluoromethyl-phenoxy...)
Show SMILES ONC(=O)c1c(F)cccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O5S/c20-15-2-1-3-16(17(15)18(26)24-27)31(28,29)25-10-8-14(9-11-25)30-13-6-4-12(5-7-13)19(21,22)23/h1-7,14,27H,8-11H2,(H,24,26)
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n/an/a 3.30n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095225
PNG
(2-Fluoro-N-hydroxy-6-[4-(4-trifluoromethyl-phenoxy...)
Show SMILES ONC(=O)c1c(F)cccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O5S/c20-15-2-1-3-16(17(15)18(26)24-27)31(28,29)25-10-8-14(9-11-25)30-13-6-4-12(5-7-13)19(21,22)23/h1-7,14,27H,8-11H2,(H,24,26)
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n/an/a 12n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095222
PNG
(CHEMBL83209 | N-Hydroxy-2-[4-(4-trifluoromethyl-ph...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O5S/c20-19(21,22)13-5-7-14(8-6-13)29-15-9-11-24(12-10-15)30(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,15,26H,9-12H2,(H,23,25)
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n/an/a 28n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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n/an/a 33n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095224
PNG
(CHEMBL94467 | N-Hydroxy-2-[4-(4-trifluoromethyl-be...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O5S/c21-20(22,23)15-7-5-14(6-8-15)13-30-16-9-11-25(12-10-16)31(28,29)18-4-2-1-3-17(18)19(26)24-27/h1-8,16,27H,9-13H2,(H,24,26)
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n/an/a 35n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095221
PNG
(CHEMBL94872 | N-Hydroxy-2-(4-phenyl-piperidine-1-s...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)16-8-4-5-9-17(16)25(23,24)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-9,15,22H,10-13H2,(H,19,21)
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n/an/a 70n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095219
PNG
(2-(4-Benzyl-piperidine-1-sulfonyl)-N-hydroxy-benza...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O4S/c22-19(20-23)17-8-4-5-9-18(17)26(24,25)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16,23H,10-14H2,(H,20,22)
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n/an/a 148n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095221
PNG
(CHEMBL94872 | N-Hydroxy-2-(4-phenyl-piperidine-1-s...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)16-8-4-5-9-17(16)25(23,24)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-9,15,22H,10-13H2,(H,19,21)
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n/an/a 520n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 800n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095224
PNG
(CHEMBL94467 | N-Hydroxy-2-[4-(4-trifluoromethyl-be...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O5S/c21-20(22,23)15-7-5-14(6-8-15)13-30-16-9-11-25(12-10-16)31(28,29)18-4-2-1-3-17(18)19(26)24-27/h1-8,16,27H,9-13H2,(H,24,26)
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n/an/a 900n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095219
PNG
(2-(4-Benzyl-piperidine-1-sulfonyl)-N-hydroxy-benza...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O4S/c22-19(20-23)17-8-4-5-9-18(17)26(24,25)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16,23H,10-14H2,(H,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095217
PNG
(2-(4-Benzoyl-piperazine-1-sulfonyl)-N-hydroxy-benz...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O5S/c22-17(19-24)15-8-4-5-9-16(15)27(25,26)21-12-10-20(11-13-21)18(23)14-6-2-1-3-7-14/h1-9,24H,10-13H2,(H,19,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095215
PNG
(CHEMBL330078 | N-Hydroxy-2-[3-(4-trifluoromethyl-p...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(C1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O5S/c19-18(20,21)12-5-7-13(8-6-12)28-14-9-10-23(11-14)29(26,27)16-4-2-1-3-15(16)17(24)22-25/h1-8,14,25H,9-11H2,(H,22,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095215
PNG
(CHEMBL330078 | N-Hydroxy-2-[3-(4-trifluoromethyl-p...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(C1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O5S/c19-18(20,21)12-5-7-13(8-6-12)28-14-9-10-23(11-14)29(26,27)16-4-2-1-3-15(16)17(24)22-25/h1-8,14,25H,9-11H2,(H,22,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095213
PNG
(CHEMBL97478 | N-hydroxy-2-({3-[(4-methoxybenzoyl)a...)
Show SMILES COc1ccc(cc1)C(=O)NC1CCN(C1)S(=O)(=O)c1ccccc1C(=O)NO
Show InChI InChI=1S/C19H21N3O6S/c1-28-15-8-6-13(7-9-15)18(23)20-14-10-11-22(12-14)29(26,27)17-5-3-2-4-16(17)19(24)21-25/h2-9,14,25H,10-12H2,1H3,(H,20,23)(H,21,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095213
PNG
(CHEMBL97478 | N-hydroxy-2-({3-[(4-methoxybenzoyl)a...)
Show SMILES COc1ccc(cc1)C(=O)NC1CCN(C1)S(=O)(=O)c1ccccc1C(=O)NO
Show InChI InChI=1S/C19H21N3O6S/c1-28-15-8-6-13(7-9-15)18(23)20-14-10-11-22(12-14)29(26,27)17-5-3-2-4-16(17)19(24)21-25/h2-9,14,25H,10-12H2,1H3,(H,20,23)(H,21,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095220
PNG
(CHEMBL94324 | N-Hydroxy-2-(4-phenoxy-phenylsulfamo...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O5S/c22-19(20-23)17-8-4-5-9-18(17)27(24,25)21-14-10-12-16(13-11-14)26-15-6-2-1-3-7-15/h1-13,21,23H,(H,20,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095217
PNG
(2-(4-Benzoyl-piperazine-1-sulfonyl)-N-hydroxy-benz...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O5S/c22-17(19-24)15-8-4-5-9-16(15)27(25,26)21-12-10-20(11-13-21)18(23)14-6-2-1-3-7-14/h1-9,24H,10-13H2,(H,19,22)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095220
PNG
(CHEMBL94324 | N-Hydroxy-2-(4-phenoxy-phenylsulfamo...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O5S/c22-19(20-23)17-8-4-5-9-18(17)27(24,25)21-14-10-12-16(13-11-14)26-15-6-2-1-3-7-15/h1-13,21,23H,(H,20,22)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095214
PNG
(CHEMBL94828 | N-Hydroxy-2-(4-methoxy-phenylsulfamo...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccccc2C(=O)NO)cc1
Show InChI InChI=1S/C14H14N2O5S/c1-21-11-8-6-10(7-9-11)16-22(19,20)13-5-3-2-4-12(13)14(17)15-18/h2-9,16,18H,1H3,(H,15,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095225
PNG
(2-Fluoro-N-hydroxy-6-[4-(4-trifluoromethyl-phenoxy...)
Show SMILES ONC(=O)c1c(F)cccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O5S/c20-15-2-1-3-16(17(15)18(26)24-27)31(28,29)25-10-8-14(9-11-25)30-13-6-4-12(5-7-13)19(21,22)23/h1-7,14,27H,8-11H2,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095213
PNG
(CHEMBL97478 | N-hydroxy-2-({3-[(4-methoxybenzoyl)a...)
Show SMILES COc1ccc(cc1)C(=O)NC1CCN(C1)S(=O)(=O)c1ccccc1C(=O)NO
Show InChI InChI=1S/C19H21N3O6S/c1-28-15-8-6-13(7-9-15)18(23)20-14-10-11-22(12-14)29(26,27)17-5-3-2-4-16(17)19(24)21-25/h2-9,14,25H,10-12H2,1H3,(H,20,23)(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095219
PNG
(2-(4-Benzyl-piperidine-1-sulfonyl)-N-hydroxy-benza...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H22N2O4S/c22-19(20-23)17-8-4-5-9-18(17)26(24,25)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16,23H,10-14H2,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095224
PNG
(CHEMBL94467 | N-Hydroxy-2-[4-(4-trifluoromethyl-be...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)OCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O5S/c21-20(22,23)15-7-5-14(6-8-15)13-30-16-9-11-25(12-10-16)31(28,29)18-4-2-1-3-17(18)19(26)24-27/h1-8,16,27H,9-13H2,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095222
PNG
(CHEMBL83209 | N-Hydroxy-2-[4-(4-trifluoromethyl-ph...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O5S/c20-19(21,22)13-5-7-14(8-6-13)29-15-9-11-24(12-10-15)30(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,15,26H,9-12H2,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095221
PNG
(CHEMBL94872 | N-Hydroxy-2-(4-phenyl-piperidine-1-s...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)16-8-4-5-9-17(16)25(23,24)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-9,15,22H,10-13H2,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095223
PNG
(2-Benzylsulfamoyl-N-hydroxy-benzamide | CHEMBL4213...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)12-8-4-5-9-13(12)21(19,20)15-10-11-6-2-1-3-7-11/h1-9,15,18H,10H2,(H,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095220
PNG
(CHEMBL94324 | N-Hydroxy-2-(4-phenoxy-phenylsulfamo...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O5S/c22-19(20-23)17-8-4-5-9-18(17)27(24,25)21-14-10-12-16(13-11-14)26-15-6-2-1-3-7-15/h1-13,21,23H,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095223
PNG
(2-Benzylsulfamoyl-N-hydroxy-benzamide | CHEMBL4213...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)12-8-4-5-9-13(12)21(19,20)15-10-11-6-2-1-3-7-11/h1-9,15,18H,10H2,(H,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095217
PNG
(2-(4-Benzoyl-piperazine-1-sulfonyl)-N-hydroxy-benz...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H19N3O5S/c22-17(19-24)15-8-4-5-9-16(15)27(25,26)21-12-10-20(11-13-21)18(23)14-6-2-1-3-7-14/h1-9,24H,10-13H2,(H,19,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095215
PNG
(CHEMBL330078 | N-Hydroxy-2-[3-(4-trifluoromethyl-p...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(C1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N2O5S/c19-18(20,21)12-5-7-13(8-6-12)28-14-9-10-23(11-14)29(26,27)16-4-2-1-3-15(16)17(24)22-25/h1-8,14,25H,9-11H2,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095214
PNG
(CHEMBL94828 | N-Hydroxy-2-(4-methoxy-phenylsulfamo...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccccc2C(=O)NO)cc1
Show InChI InChI=1S/C14H14N2O5S/c1-21-11-8-6-10(7-9-11)16-22(19,20)13-5-3-2-4-12(13)14(17)15-18/h2-9,16,18H,1H3,(H,15,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair