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BDBM50067426 5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid ethyl ester::CHEMBL133272

SMILES: CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21

InChI Key: InChIKey=HGJUDXDUSGEVOX-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50067426   
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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067426
PNG
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21
Show InChI InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3
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Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067426
PNG
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21
Show InChI InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3
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PubMed
0.400n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067426
PNG
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21
Show InChI InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3
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PubMed
6.90n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067426
PNG
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21
Show InChI InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3
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Article
PubMed
6.90n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067426
PNG
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21
Show InChI InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3
PDB

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PubMed
8.30n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067426
PNG
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21
Show InChI InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.30n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067426
PNG
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21
Show InChI InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3
PDB

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Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity of the compound tested against alpha2-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067426
PNG
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21
Show InChI InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair