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Compile Data Set for Download or QSAR

Found 179 hits Enz. Inhib. hit(s) with all data for entry = 50033232   
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
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50167609
PNG
((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341824
PNG
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O |r|
Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341816
PNG
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)
Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50167609
PNG
((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...)
Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341819
PNG
((1S,2R,3R)-1-(6-Chloro-4H-thieno[3,2-b]indole-2-su...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C21H17ClN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50104963
PNG
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)
Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341820
PNG
((1S,2R,3R)-1-(6-Fluoro-4H-thieno[3,2-b]indole-2-su...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(F)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341820
PNG
((1S,2R,3R)-1-(6-Fluoro-4H-thieno[3,2-b]indole-2-su...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(F)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341812
PNG
((1S,2R,3R)-2.3-Dimethyl-1-(8-fluoro-1,2,3,4-tetrah...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r|
Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-10-9-18-17(13-26)24-19-12-16(23)8-11-27(18)19/h3-8,11-12,14,25H,9-10,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341809
PNG
((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydropyrido[3'...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O |r|
Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-10-9-16-17(12-25)23-26-11-15(22)7-8-18(16)26/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341813
PNG
((1S,2R,3R)-2,3-Dimethyl-1-(7-fluoro-1,2,3,4-tetrah...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O |r|
Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-11-10-17-18(13-26)24-27-12-16(23)8-9-19(17)27/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341821
PNG
((1S,2R,3R)-1-(7-Fluoro-4H-thieno[3,2-b]indole-2-su...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3ccc(F)cc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-9-13(22)7-8-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50104963
PNG
((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...)
Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341811
PNG
((1S,2R,3R)-2,3-Dimethyl-1-(8-fluoro-1,2,3,4-tetrah...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)nc1cc(F)ccc21)C(O)=O |r|
Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-10-11-27-18-9-8-16(23)12-17(18)24-19(27)13-26/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341819
PNG
((1S,2R,3R)-1-(6-Chloro-4H-thieno[3,2-b]indole-2-su...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C21H17ClN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341808
PNG
((1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrido[3'...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r|
Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-9-8-17-16(12-25)23-18-11-15(22)7-10-26(17)18/h2-7,10-11,13,19,24H,8-9,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341816
PNG
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)
Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341815
PNG
((1S,2R,3R)-1-[(R)-4-(5-Difluoromethylisoxazol-3-yl...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1cc(on1)C(F)F)C(O)=O |r|
Show InChI InChI=1S/C21H26F2N4O5S/c1-13-12-26(9-10-27(13)17-11-16(18(22)23)32-24-17)33(30,31)25-21(19(28)29)14(2)20(21,3)15-7-5-4-6-8-15/h4-8,11,13-14,18,25H,9-10,12H2,1-3H3,(H,28,29)/t13-,14-,20-,21-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50311085
PNG
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341824
PNG
((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O |r|
Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341803
PNG
((1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrazino[...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)nc1cc(F)ccc21)C(O)=O |r|
Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-9-10-26-17-8-7-15(22)11-16(17)23-18(26)12-25/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341799
PNG
((1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrido[3'...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(Cl)ccn21)C(O)=O |r|
Show InChI InChI=1S/C21H21ClN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-9-8-17-16(12-25)23-18-11-15(22)7-10-26(17)18/h2-7,10-11,13,19,24H,8-9,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50311085
PNG
((1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfon...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H18ClNO4S2/c1-13-19(15-5-3-2-4-6-15)21(13,20(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19-,21+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341817
PNG
((1S,2R,3R)-1-(6-Chlorothieno[3',2':4,5]imidazo[1,2...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nc3cc(Cl)ccn3c2s1)C(O)=O |r|
Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-10-14-18(29-16)24-8-7-13(21)9-15(24)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4


(Homo sapiens (Human))
BDBM50341812
PNG
((1S,2R,3R)-2.3-Dimethyl-1-(8-fluoro-1,2,3,4-tetrah...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r|
Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-10-9-18-17(13-26)24-19-12-16(23)8-11-27(18)19/h3-8,11-12,14,25H,9-10,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341821
PNG
((1S,2R,3R)-1-(7-Fluoro-4H-thieno[3,2-b]indole-2-su...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3ccc(F)cc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-9-13(22)7-8-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341794
PNG
((1S,2R,3R)-1-[(R)-4-(5-Difluoromethylisoxazol-3-yl...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1cc(on1)C(F)F)C(O)=O |r|
Show InChI InChI=1S/C20H24F2N4O5S/c1-12-11-25(8-9-26(12)16-10-15(18(21)22)31-23-16)32(29,30)24-20(19(27)28)13(2)17(20)14-6-4-3-5-7-14/h3-7,10,12-13,17-18,24H,8-9,11H2,1-2H3,(H,27,28)/t12-,13-,17-,20+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341818
PNG
((1S,2R,3R)-1-(7-Chlorothieno[3',2':3,4]pyrazolo[1,...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nn3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-9-14-18(29-16)15-8-7-13(21)10-24(15)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341814
PNG
((1S,2R,3R)-1-[(R)-4-(5-Cyanothiophen-2-yl)-3-methy...)
Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1ccc(s1)C#N)C(O)=O |r|
Show InChI InChI=1S/C22H26N4O4S2/c1-15-14-25(11-12-26(15)19-10-9-18(13-23)31-19)32(29,30)24-22(20(27)28)16(2)21(22,3)17-7-5-4-6-8-17/h4-10,15-16,24H,11-12,14H2,1-3H3,(H,27,28)/t15-,16-,21-,22-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341793
PNG
((1S,2R,3R)-1-[(R)-4-(5-Cyanothiophen-2-yl)-3-methy...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1ccc(s1)C#N)C(O)=O |r|
Show InChI InChI=1S/C21H24N4O4S2/c1-14-13-24(10-11-25(14)18-9-8-17(12-22)30-18)31(28,29)23-21(20(26)27)15(2)19(21)16-6-4-3-5-7-16/h3-9,14-15,19,23H,10-11,13H2,1-2H3,(H,26,27)/t14-,15-,19-,21+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50341816
PNG
((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...)
Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341786
PNG
((1S,2R,3R)-1-[(R)-4-(4-Chlorophenyl)-3-methylpiper...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15-14-25(12-13-26(15)19-10-8-18(23)9-11-19)31(29,30)24-22(21(27)28)16(2)20(22)17-6-4-3-5-7-17/h3-11,15-16,20,24H,12-14H2,1-2H3,(H,27,28)/t15-,16-,20-,22+/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341810
PNG
((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydro-9H-pyrid...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)[nH]c1cc(F)ccc21)C(O)=O |r|
Show InChI InChI=1S/C22H22FN3O4S/c1-13-20(14-5-3-2-4-6-14)22(13,21(27)28)25-31(29,30)26-10-9-17-16-8-7-15(23)11-18(16)24-19(17)12-26/h2-8,11,13,20,24-25H,9-10,12H2,1H3,(H,27,28)/t13-,20-,22+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341797
PNG
((1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrazino[...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)cc1cc(Cl)ccc21)C(O)=O |r|
Show InChI InChI=1S/C22H22ClN3O4S/c1-14-20(15-5-3-2-4-6-15)22(14,21(27)28)24-31(29,30)25-9-10-26-18(13-25)12-16-11-17(23)7-8-19(16)26/h2-8,11-12,14,20,24H,9-10,13H2,1H3,(H,27,28)/t14-,20-,22+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341787
PNG
((1S,2R,3R)-1-[(S)-4-(4-Chlorophenyl)-3-methylpiper...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@@H](C)C1)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15-14-25(12-13-26(15)19-10-8-18(23)9-11-19)31(29,30)24-22(21(27)28)16(2)20(22)17-6-4-3-5-7-17/h3-11,15-16,20,24H,12-14H2,1-2H3,(H,27,28)/t15-,16+,20+,22-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341798
PNG
((1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrazino[...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)nc1cc(Cl)ccc21)C(O)=O |r|
Show InChI InChI=1S/C21H21ClN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-9-10-26-17-8-7-15(22)11-16(17)23-18(26)12-25/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341823
PNG
((1S,2R,3R)-1-[4-(4-Chlorophenyl)-1,2,3,6-tetrahydr...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1)C(O)=O |r,c:19|
Show InChI InChI=1S/C22H23ClN2O4S/c1-15-20(18-5-3-2-4-6-18)22(15,21(26)27)24-30(28,29)25-13-11-17(12-14-25)16-7-9-19(23)10-8-16/h2-11,15,20,24H,12-14H2,1H3,(H,26,27)/t15-,20-,22+/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341801
PNG
((1S,2R,3R)-1-(6-Chloro-2,3-dihydro-1H-pyrrolo[3',4...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1Cc2nc3cc(Cl)ccn3c2C1)C(O)=O |r|
Show InChI InChI=1S/C20H19ClN4O4S/c1-12-18(13-5-3-2-4-6-13)20(12,19(26)27)23-30(28,29)24-10-15-16(11-24)25-8-7-14(21)9-17(25)22-15/h2-9,12,18,23H,10-11H2,1H3,(H,26,27)/t12-,18-,20+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341796
PNG
((1S,2R,3R)-1-[(R)-4-(5-Methoxymethylisoxazol-3-yl)...)
Show SMILES COCc1cc(no1)N1CCN(C[C@H]1C)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H28N4O6S/c1-14-12-24(9-10-25(14)18-11-17(13-30-3)31-22-18)32(28,29)23-21(20(26)27)15(2)19(21)16-7-5-4-6-8-16/h4-8,11,14-15,19,23H,9-10,12-13H2,1-3H3,(H,26,27)/t14-,15-,19-,21+/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50311088
PNG
(CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r|
Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341822
PNG
((1S,2R,3R)-1-[4-(4-Chlorophenyl)piperazine-1-sulfo...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H24ClN3O4S/c1-15-19(16-5-3-2-4-6-16)21(15,20(26)27)23-30(28,29)25-13-11-24(12-14-25)18-9-7-17(22)8-10-18/h2-10,15,19,23H,11-14H2,1H3,(H,26,27)/t15-,19-,21+/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5


(Homo sapiens (Human))
BDBM50341802
PNG
((1S,2R,3R)-2-Methyl-3-phenyl-1-(1,2,3,4-tetrahydro...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)nc1ccccc21)C(O)=O |r|
Show InChI InChI=1S/C21H22N4O4S/c1-14-19(15-7-3-2-4-8-15)21(14,20(26)27)23-30(28,29)24-11-12-25-17-10-6-5-9-16(17)22-18(25)13-24/h2-10,14,19,23H,11-13H2,1H3,(H,26,27)/t14-,19-,21+/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341810
PNG
((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydro-9H-pyrid...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)[nH]c1cc(F)ccc21)C(O)=O |r|
Show InChI InChI=1S/C22H22FN3O4S/c1-13-20(14-5-3-2-4-6-14)22(13,21(27)28)25-31(29,30)26-10-9-17-16-8-7-15(23)11-18(16)24-19(17)12-26/h2-8,11,13,20,24-25H,9-10,12H2,1H3,(H,27,28)/t13-,20-,22+/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341817
PNG
((1S,2R,3R)-1-(6-Chlorothieno[3',2':4,5]imidazo[1,2...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nc3cc(Cl)ccn3c2s1)C(O)=O |r|
Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-10-14-18(29-16)24-8-7-13(21)9-15(24)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50341818
PNG
((1S,2R,3R)-1-(7-Chlorothieno[3',2':3,4]pyrazolo[1,...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nn3cc(Cl)ccc3c2s1)C(O)=O |r|
Show InChI InChI=1S/C20H16ClN3O4S2/c1-11-17(12-5-3-2-4-6-12)20(11,19(25)26)23-30(27,28)16-9-14-18(29-16)15-8-7-13(21)10-24(15)22-14/h2-11,17,23H,1H3,(H,25,26)/t11-,17-,20+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
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