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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50441212'   
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 17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Università di Pisa

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 incubated for 30 mins measured every 15 secs ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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Article
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n/an/a 651n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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CHEMBL
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Article
PubMed
n/an/a 845n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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CHEMBL
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Article
PubMed
n/an/a 4.27E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 min...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair