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BDBM50243981 Beta CCM::CHEMBL453066::Methyl Beta-carboline-3 carboxylate::methyl 9H-pyrido[3,4-b]indole-3-carboxylate

SMILES: COC(=O)c1cc2c(cn1)[nH]c1ccccc21

InChI Key: InChIKey=UKHFPVCOXBJPIN-UHFFFAOYSA-N

Data: 18 KI  5 IC50  2 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 25 hits for monomerid = 50243981   
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
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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0.5n/an/an/an/an/an/an/an/a



University Clinic for Psychiatry

Curated by PDSP Ki Database




Eur J Pharmacol 304: 155-62 (1996)


Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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0.780n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 49: 253-9 (1996)


BindingDB Entry DOI: 10.7270/Q2639N8C
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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1.40n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)


BindingDB Entry DOI: 10.7270/Q2125R4D
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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1.5n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)


BindingDB Entry DOI: 10.7270/Q2125R4D
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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2.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 43: 970-5 (1993)


Article DOI: 10.1021/cb500820b
BindingDB Entry DOI: 10.7270/Q2ZS2V1S
More data for this
Ligand-Target Pair
GABA A Alpha2Beta1Gamma2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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2.90n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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4.10n/an/an/an/an/an/an/an/a



Universität Heidelberg

Curated by PDSP Ki Database




Science 245: 1389-92 (1989)


Article DOI: 10.1126/science.2551039
BindingDB Entry DOI: 10.7270/Q2C53JCF
More data for this
Ligand-Target Pair
GABA A Alpha2Beta1Gamma2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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6.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 43: 970-5 (1993)


Article DOI: 10.1021/cb500820b
BindingDB Entry DOI: 10.7270/Q2ZS2V1S
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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9.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 43: 970-5 (1993)


Article DOI: 10.1021/cb500820b
BindingDB Entry DOI: 10.7270/Q2ZS2V1S
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1


(Rattus norvegicus (Rat))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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60n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 1154-60 (1991)


BindingDB Entry DOI: 10.7270/Q2125R4D
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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76.4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 43: 970-5 (1993)


Article DOI: 10.1021/cb500820b
BindingDB Entry DOI: 10.7270/Q2ZS2V1S
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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310n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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436n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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640n/an/an/an/an/an/an/an/a



University Clinic for Psychiatry

Curated by PDSP Ki Database




Eur J Pharmacol 304: 155-62 (1996)


Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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2.02E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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2.05E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 49: 253-9 (1996)


BindingDB Entry DOI: 10.7270/Q2639N8C
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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3.26E+3n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




Eur J Pharmacol 291: 319-25 (1995)


Article DOI: 10.1016/0922-4106(95)90072-1
BindingDB Entry DOI: 10.7270/Q2JD4VB2
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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n/an/a 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its activity to inhibit the binding of [125I]-gastrin to gastric glands (gastrin) in guinea pig


Bioorg Med Chem Lett 3: 867-870 (1993)


Article DOI: 10.1016/S0960-894X(00)80682-4
BindingDB Entry DOI: 10.7270/Q28S4PTK
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its activity to inhibit the binding of [125I]-gastrin to gastric glands (gastrin) in guinea pig


Bioorg Med Chem Lett 3: 867-870 (1993)


Article DOI: 10.1016/S0960-894X(00)80682-4
BindingDB Entry DOI: 10.7270/Q28S4PTK
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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n/an/an/a 1n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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n/an/an/a 58n/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
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UniProtKB/SwissProt

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UniChem

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Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its activity to inhibit the binding of [125I]-gastrin to gastric glands (gastrin) in guinea pig


Bioorg Med Chem Lett 3: 867-870 (1993)


Article DOI: 10.1016/S0960-894X(00)80682-4
BindingDB Entry DOI: 10.7270/Q28S4PTK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50243981
PNG
(Beta CCM | CHEMBL453066 | Methyl Beta-carboline-3 ...)
Show SMILES COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method


Bioorg Med Chem 22: 6089-104 (2014)


Article DOI: 10.1016/j.bmc.2014.08.035
BindingDB Entry DOI: 10.7270/Q2M61N1Z
More data for this
Ligand-Target Pair