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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family C member 8' and Ligand = 'BDBM50153522'   
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))
BDBM50153522
PNG
(2-(2-Fluoro-ethoxy)-4-{[(S)-3-methyl-1-(2-piperidi...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(C(O)=O)c(OCCF)c1)c1ccccc1N1CCCCC1
Show InChI InChI=1S/C27H35FN2O4/c1-19(2)16-23(21-8-4-5-9-24(21)30-13-6-3-7-14-30)29-26(31)18-20-10-11-22(27(32)33)25(17-20)34-15-12-28/h4-5,8-11,17,19,23H,3,6-7,12-16,18H2,1-2H3,(H,29,31)(H,32,33)/t23-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 281n/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-glibenclamide (IC50=0.61) from COS-1 cells expressing Sulfonylurea receptor 1 (SUR-1)


Bioorg Med Chem Lett 14: 5205-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.059
BindingDB Entry DOI: 10.7270/Q2BG2NGF
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Homo sapiens (Human))
BDBM50153522
PNG
(2-(2-Fluoro-ethoxy)-4-{[(S)-3-methyl-1-(2-piperidi...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(C(O)=O)c(OCCF)c1)c1ccccc1N1CCCCC1
Show InChI InChI=1S/C27H35FN2O4/c1-19(2)16-23(21-8-4-5-9-24(21)30-13-6-3-7-14-30)29-26(31)18-20-10-11-22(27(32)33)25(17-20)34-15-12-28/h4-5,8-11,17,19,23H,3,6-7,12-16,18H2,1-2H3,(H,29,31)(H,32,33)/t23-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 134n/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Displacement of [3H]glibenclamide from COS-1 cells expressing Sulfonylurea receptor 1 (SUR-1)


Bioorg Med Chem Lett 14: 5205-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.059
BindingDB Entry DOI: 10.7270/Q2BG2NGF
More data for this
Ligand-Target Pair