BindingDB logo
myBDB logout

BDBM50153520 (S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)phenyl)butylamino)-2-oxoethyl)benzoic acid::2-Ethoxy-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phenyl)-butylcarbamoyl]-methyl}-benzoic acid::AGEE-623ZW::CHEMBL1272::Prandin::REPAGLINIDE

SMILES: CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O

InChI Key: InChIKey=FAEKWTJYAYMJKF-QHCPKHFHSA-N

Data: 2 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50153520   
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
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 50n/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
Adrenergic Alpha


(HUMAN)
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy


J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
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
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

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)


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