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

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 = 50330480   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330480 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86.6	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50330480 (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	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/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