BindingDB logo
myBDB logout

BDBM50329642 2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carboxylate::CHEMBL1270637

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

InChI Key: InChIKey=UPPLJERIZONGME-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50329642   
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 receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50329642
PNG
(2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carb...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha1beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50329642
PNG
(2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carb...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha2beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50329642
PNG
(2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carb...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
41.7n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha3beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50329642
PNG
(2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carb...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
126n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha5beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA receptor alpha-4/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50329642
PNG
(2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carb...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>500n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha4beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50329642
PNG
(2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carb...)
Show SMILES FC(F)(F)COC(=O)c1cc2c(cn1)[nH]c1ccccc21
Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)7-21-13(20)11-5-9-8-3-1-2-4-10(8)19-12(9)6-18-11/h1-6,19H,7H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human recombinant GABAA alpha6beta3gamma2 receptor expressed in HEK cells by liquid scintillation counting


Bioorg Med Chem 18: 7548-64 (2010)


Article DOI: 10.1016/j.bmc.2010.08.049
BindingDB Entry DOI: 10.7270/Q2G1613B
More data for this
Ligand-Target Pair