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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 10' and Ligand = 'BDBM50151244'   
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
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 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 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 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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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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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))
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))
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 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
PDB

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PubMed
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 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))
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
PDB

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B.MOAD
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PubMed
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 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