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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'frederico' and Initial = 'mj'   
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
ATP-binding cassette sub-family C member 8


(Homo sapiens (Human))
BDBM50025847
PNG
(CHEMBL3330879)
Show SMILES COc1cc(NC(=O)CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C31H41ClN4O12S/c1-46-23-14-22(35-25(38)16-47-30-28(41)27(40)26(39)24(15-37)48-30)21(32)13-20(23)29(42)33-12-11-17-7-9-19(10-8-17)49(44,45)36-31(43)34-18-5-3-2-4-6-18/h7-10,13-14,18,24,26-28,30,37,39-41H,2-6,11-12,15-16H2,1H3,(H,33,42)(H,35,38)(H2,34,36,43)/t24-,26-,27+,28-,30+/m1/s1
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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.10n/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Binding affinity to SUR1 (unknown origin)


Eur J Med Chem 86: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.007
BindingDB Entry DOI: 10.7270/Q2319XGR
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Homo sapiens (Human))
BDBM50025834
PNG
(CHEMBL3330880)
Show SMILES COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C25H31ClN4O6S/c1-16(31)28-22-15-23(36-2)20(14-21(22)26)24(32)27-13-12-17-8-10-19(11-9-17)37(34,35)30-25(33)29-18-6-4-3-5-7-18/h8-11,14-15,18H,3-7,12-13H2,1-2H3,(H,27,32)(H,28,31)(H2,29,30,33)
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.380n/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Binding affinity to SUR1 (unknown origin)


Eur J Med Chem 86: 491-501 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.007
BindingDB Entry DOI: 10.7270/Q2319XGR
More data for this
Ligand-Target Pair