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BDBM50120774 2-(2-Fluoro-phenyl)-8-(4-methoxy-benzoyl)-6,7,8,9-tetrahydro-5H-1,3a,5,8-tetraaza-cyclopenta[a]naphthalen-4-one::CHEMBL146317

SMILES: COc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F

InChI Key: InChIKey=QCGAQTREEQRIAM-UHFFFAOYSA-N

Data: 4 EC50

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 4 hits for monomerid = 50120774   
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-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120774
PNG
(2-(2-Fluoro-phenyl)-8-(4-methoxy-benzoyl)-6,7,8,9-...)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)
PDB

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UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 383n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 2


Citation and Details
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120774
PNG
(2-(2-Fluoro-phenyl)-8-(4-methoxy-benzoyl)-6,7,8,9-...)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)
PDB

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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 375n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50120774
PNG
(2-(2-Fluoro-phenyl)-8-(4-methoxy-benzoyl)-6,7,8,9-...)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 112n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against Gamma-aminobutyric acid A receptor, alpha 5


Citation and Details
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120774
PNG
(2-(2-Fluoro-phenyl)-8-(4-methoxy-benzoyl)-6,7,8,9-...)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


Citation and Details
More data for this
Ligand-Target Pair