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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 50000161   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sulfonylurea receptor 1


(Homo sapiens)
BDBM50153520
PNG
((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...)
Show SMILES CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O
Show InChI InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
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Article
PubMed
n/an/a 106n/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)

More data for this
Ligand-Target Pair
Sulfonylurea receptor 1


(Homo sapiens)
BDBM50153521
PNG
(2-Methoxy-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phe...)
Show SMILES COc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O
Show InChI InChI=1S/C26H34N2O4/c1-18(2)15-22(20-9-5-6-10-23(20)28-13-7-4-8-14-28)27-25(29)17-19-11-12-21(26(30)31)24(16-19)32-3/h5-6,9-12,16,18,22H,4,7-8,13-15,17H2,1-3H3,(H,27,29)(H,30,31)/t22-/m0/s1
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Article
PubMed
n/an/a 163n/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)

More data for this
Ligand-Target Pair
Sulfonylurea receptor 1


(Homo sapiens)
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

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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)

More data for this
Ligand-Target Pair