BDBM50330450 2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydro-3Hquinazolin-4-one::CHEMBL1277006

SMILES: O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12

InChI Key: InChIKey=OHXKHPFEXVDLQZ-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 = 50330450   

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))	BDBM50330450 (2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...) Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12 Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.6	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))	BDBM50330450 (2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...) Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12 Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	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