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BDBM50120775 2-(2-Fluoro-phenyl)-8-pyridin-4-ylmethyl-6,7,8,9-tetrahydro-5H-1,3a,5,8-tetraaza-cyclopenta[a]naphthalen-4-one::CHEMBL342270

SMILES: Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccncc3)CCc1[nH]c2=O

InChI Key: InChIKey=BERJRHQIPAWMTI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50120775   
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-3/beta-2/gamma-2


(HUMAN)
BDBM50120775
PNG
(2-(2-Fluoro-phenyl)-8-pyridin-4-ylmethyl-6,7,8,9-t...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccncc3)CCc1[nH]c2=O
Show InChI InChI=1S/C21H18FN5O/c22-17-4-2-1-3-15(17)19-13-27-20(24-19)16-12-26(10-7-18(16)25-21(27)28)11-14-5-8-23-9-6-14/h1-6,8-9,13H,7,10-12H2,(H,25,28)
PDB

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PC sid
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PubMed
n/an/an/an/a 33n/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
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120775
PNG
(2-(2-Fluoro-phenyl)-8-pyridin-4-ylmethyl-6,7,8,9-t...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccncc3)CCc1[nH]c2=O
Show InChI InChI=1S/C21H18FN5O/c22-17-4-2-1-3-15(17)19-13-27-20(24-19)16-12-26(10-7-18(16)25-21(27)28)11-14-5-8-23-9-6-14/h1-6,8-9,13H,7,10-12H2,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 53n/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
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50120775
PNG
(2-(2-Fluoro-phenyl)-8-pyridin-4-ylmethyl-6,7,8,9-t...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccncc3)CCc1[nH]c2=O
Show InChI InChI=1S/C21H18FN5O/c22-17-4-2-1-3-15(17)19-13-27-20(24-19)16-12-26(10-7-18(16)25-21(27)28)11-14-5-8-23-9-6-14/h1-6,8-9,13H,7,10-12H2,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 99n/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