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BDBM50153521 2-Methoxy-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phenyl)-butylcarbamoyl]-methyl}-benzoic acid::CHEMBL360610

SMILES: COc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O

InChI Key: InChIKey=OJEHHOORWJQTJV-QFIPXVFZSA-N

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50153521   
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)
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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CHEMBL
PC cid
PC sid
UniChem

Similars

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)


Article DOI: 10.1016/j.bmcl.2004.07.059
BindingDB Entry DOI: 10.7270/Q2BG2NGF
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
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 83n/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