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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 = 'BDBM113574'   
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))
BDBM113574
PNG
(US8633196, 2 | US9365529, 2)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H26N4O7S2/c1-3-4-13-29-15-5-7-16(8-6-15)31(27,28)19-14-17(18(23)20-24)21-9-11-22(12-10-21)30(2,25)26/h5-8,17,19,24H,9-14H2,1-2H3,(H,20,23)/t17-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/a7.437



GALDERMA RESEARCH & DEVLOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel 2006, 19, 155-161) and is added so as to have...


US Patent US9365529 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DC8
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM113574
PNG
(US8633196, 2 | US9365529, 2)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C18H26N4O7S2/c1-3-4-13-29-15-5-7-16(8-6-15)31(27,28)19-14-17(18(23)20-24)21-9-11-22(12-10-21)30(2,25)26/h5-8,17,19,24H,9-14H2,1-2H3,(H,20,23)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/a7.437



Galderma Research & Development

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel 2006, 19, 155-161) and is added so as to have...


US Patent US8633196 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99FQ
More data for this
Ligand-Target Pair