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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50044868   
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


(Homo sapiens (human))
BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033806
PNG
(CHEMBL3358156)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ADAM17


(Homo sapiens (Human))
BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human TACE using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033806
PNG
(CHEMBL3358156)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m0/s1
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033809
PNG
(CHEMBL3358151)
Show SMILES C[C@]1(CNC(=O)COc2ccc(Cl)cc2)NC(=O)NC1=O
Show InChI InChI=1S/C13H14ClN3O4/c1-13(11(19)16-12(20)17-13)7-15-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,19,20)/t13-/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033806
PNG
(CHEMBL3358156)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033860
PNG
(CHEMBL3358152)
Show SMILES C[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C14H12ClN3O4/c1-14(12(20)17-13(21)18-14)6-16-11(19)10-5-7-4-8(15)2-3-9(7)22-10/h2-5H,6H2,1H3,(H,16,19)(H2,17,18,20,21)/t14-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033860
PNG
(CHEMBL3358152)
Show SMILES C[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C14H12ClN3O4/c1-14(12(20)17-13(21)18-14)6-16-11(19)10-5-7-4-8(15)2-3-9(7)22-10/h2-5H,6H2,1H3,(H,16,19)(H2,17,18,20,21)/t14-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50168737
PNG
((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033809
PNG
(CHEMBL3358151)
Show SMILES C[C@]1(CNC(=O)COc2ccc(Cl)cc2)NC(=O)NC1=O
Show InChI InChI=1S/C13H14ClN3O4/c1-13(11(19)16-12(20)17-13)7-15-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,19,20)/t13-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 530n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033809
PNG
(CHEMBL3358151)
Show SMILES C[C@]1(CNC(=O)COc2ccc(Cl)cc2)NC(=O)NC1=O
Show InChI InChI=1S/C13H14ClN3O4/c1-13(11(19)16-12(20)17-13)7-15-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,19,20)/t13-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 930n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50033805
PNG
(CHEMBL3358155)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1nccs1
Show InChI InChI=1S/C16H11ClN4O4S/c17-9-1-2-10-8(5-9)6-11(25-10)12(22)19-7-16(14-18-3-4-26-14)13(23)20-15(24)21-16/h1-6H,7H2,(H,19,22)(H2,20,21,23,24)/t16-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033860
PNG
(CHEMBL3358152)
Show SMILES C[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C14H12ClN3O4/c1-14(12(20)17-13(21)18-14)6-16-11(19)10-5-7-4-8(15)2-3-9(7)22-10/h2-5H,6H2,1H3,(H,16,19)(H2,17,18,20,21)/t14-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50033806
PNG
(CHEMBL3358156)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1
Show InChI InChI=1S/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human TACE using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50033809
PNG
(CHEMBL3358151)
Show SMILES C[C@]1(CNC(=O)COc2ccc(Cl)cc2)NC(=O)NC1=O
Show InChI InChI=1S/C13H14ClN3O4/c1-13(11(19)16-12(20)17-13)7-15-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,19,20)/t13-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50033806
PNG
(CHEMBL3358156)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-5-4-19-14(23)17(15(25)21-16(26)22-17)8-20-13(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,20,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O
Show InChI InChI=1S/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human TACE using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
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