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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50047148   
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))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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n/an/a 9.20n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 88n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 125n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of human MMP-1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 860n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r|
Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N |r|
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50151245
PNG
(CHEMBL1229516)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |r|
Show InChI InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
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