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BDBM50143133 3-Phenyl-5-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-6H-1,2,3a,4-tetraaza-cyclohepta[e]indene::CHEMBL301181

SMILES: C(Oc1nn2c(nnc2c2CCCCCc12)-c1ccccc1)c1ccccn1

InChI Key: InChIKey=FWKHOJIWABTESL-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50143133   
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))
BDBM50143133
PNG
(3-Phenyl-5-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahyd...)
Show SMILES C(Oc1nn2c(nnc2c2CCCCCc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem
Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143133
PNG
(3-Phenyl-5-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahyd...)
Show SMILES C(Oc1nn2c(nnc2c2CCCCCc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2
PDB

KEGG

UniProtKB/SwissProt

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PubMed
17n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143133
PNG
(3-Phenyl-5-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahyd...)
Show SMILES C(Oc1nn2c(nnc2c2CCCCCc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2
PDB

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17n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143133
PNG
(3-Phenyl-5-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahyd...)
Show SMILES C(Oc1nn2c(nnc2c2CCCCCc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H21N5O/c1-3-9-16(10-4-1)20-24-25-21-18-12-5-2-6-13-19(18)22(26-27(20)21)28-15-17-11-7-8-14-23-17/h1,3-4,7-11,14H,2,5-6,12-13,15H2
PDB

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41n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair