BDBM50125935 (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester::(R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylicacid ethyl ester::3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl ester::Amidate::CHEMBL681::Etomidate::R(+)-etomidate::R-ETOMIDATE

SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1

InChI Key InChIKey=NPUKDXXFDDZOKR-LLVKDONJSA-N

Data  12 IC50  5 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50125935   

TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataEC50:  1.20E+3nMAssay Description:Ability to enhance currents from alpha-1-beta-2-gamma-2L-subunit of GABA receptor elicited by low concentrations of GABAMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 6.16E+4nMAssay Description:Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataEC50:  6.40E+4nMAssay Description:Enhancement of currents elicited by GABA at EC5 (6-12 uM)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 5.77E+5nMAssay Description:Inhibition of currents elicited by GABA at EC5 (6-12 uM)More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 4.10E+4nMAssay Description:In vitro inhibition of 5-[125I]-A-85,380 binding to alpha2 beta4 nicotinic acetylcholine receptor (nAChR) in rat brainMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataEC50:  2.50E+3nMAssay Description:In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine receptor (nAChR) of rat brainMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human aldosterone synthase expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticost...More data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human CYP11B1 expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticosterone for 3 h...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataEC50:  1.10E+4nMAssay Description:Activity at human GABAA alpha1beta2gamma2s receptor expressed in HEK293 cells assessed as effect on GABA-induced current at 3 uM by whole cell patch-...More data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human CYP11B1 expressed in chinese hamster V79 cellsMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human CYP11B2 expressed in chinese hamster V79 cellsMore data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrateMore data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrateMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataEC50:  3.50E+3nMAssay Description:Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expresse...More data for this Ligand-Target Pair
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detectorMore data for this Ligand-Target Pair
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detectorMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(MOUSE)
Massachusetts General Hospital

Curated by ChEMBL
LigandPNGBDBM50125935((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant embryonic mouse muscle Nicotinic Acetylcholine Receptor (3 oocytes)More data for this Ligand-Target Pair