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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50152909'   
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


(Sus scrofa (pig))
BDBM50152909
PNG
(1-Allyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benze...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CC=C)CCC2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C27H31N3O5S/c1-3-13-30-14-12-25(27(31)29-32)21(16-30)18-36(33,34)23-10-8-22(9-11-23)35-17-20-15-19(2)28-26-7-5-4-6-24(20)26/h3-11,15,21,25,32H,1,12-14,16-18H2,2H3,(H,29,31)
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)


Bioorg Med Chem Lett 14: 4453-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.049
BindingDB Entry DOI: 10.7270/Q2NV9HRM
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50152909
PNG
(1-Allyl-3-[4-(2-methyl-quinolin-4-ylmethoxy)-benze...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC2CN(CC=C)CCC2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C27H31N3O5S/c1-3-13-30-14-12-25(27(31)29-32)21(16-30)18-36(33,34)23-10-8-22(9-11-23)35-17-20-15-19(2)28-26-7-5-4-6-24(20)26/h3-11,15,21,25,32H,1,12-14,16-18H2,2H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effect on TNF-Alpha release in LPS-stimulated human whole blood assay


Bioorg Med Chem Lett 14: 4453-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.049
BindingDB Entry DOI: 10.7270/Q2NV9HRM
More data for this
Ligand-Target Pair