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BDBM50332377 9-Amino-2-cyclobutyl-5-(pyrimidin-5-yl)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one::CHEMBL1631469

SMILES: Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1cncnc1

InChI Key: InChIKey=KOOUQKARBNOFGH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50332377   
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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50332377
PNG
(9-Amino-2-cyclobutyl-5-(pyrimidin-5-yl)-2,3-dihydr...)
Show SMILES Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1cncnc1
Show InChI InChI=1S/C19H17N5O/c20-17-14-6-2-5-13(11-7-21-10-22-8-11)18(14)23-15-9-24(12-3-1-4-12)19(25)16(15)17/h2,5-10,12,23H,1,3-4,20H2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human alpha2beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 8374-82 (2010)


Article DOI: 10.1016/j.bmc.2010.09.058
BindingDB Entry DOI: 10.7270/Q2FB536X
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50332377
PNG
(9-Amino-2-cyclobutyl-5-(pyrimidin-5-yl)-2,3-dihydr...)
Show SMILES Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1cncnc1
Show InChI InChI=1S/C19H17N5O/c20-17-14-6-2-5-13(11-7-21-10-22-8-11)18(14)23-15-9-24(12-3-1-4-12)19(25)16(15)17/h2,5-10,12,23H,1,3-4,20H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from human alpha5beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 8374-82 (2010)


Article DOI: 10.1016/j.bmc.2010.09.058
BindingDB Entry DOI: 10.7270/Q2FB536X
More data for this
Ligand-Target Pair