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BDBM50330480 3-Amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one::CHEMBL1277374

SMILES: Nn1c(CN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O

InChI Key: InChIKey=HGUUKRWUSHWXTH-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50330480   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330480
PNG
(3-Amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)methyl...)
Show SMILES Nn1c(CN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C22H26N6O/c23-28-21(25-19-8-4-2-6-17(19)22(28)29)15-26-11-13-27(14-12-26)20-10-9-16-5-1-3-7-18(16)24-20/h1,3,5,7,9-10H,2,4,6,8,11-15,23H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 86.6n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50330480
PNG
(3-Amino-2-[2-(4-quinolin-2-ylpiperazin-1-yl)methyl...)
Show SMILES Nn1c(CN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C22H26N6O/c23-28-21(25-19-8-4-2-6-17(19)22(28)29)15-26-11-13-27(14-12-26)20-10-9-16-5-1-3-7-18(16)24-20/h1,3,5,7,9-10H,2,4,6,8,11-15,23H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair