BDBM163714 5-{4-[4-(2-(Methylthio)phenyl)piperazin-1-yl]butyl}-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one (13)

SMILES: CSc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1

InChI Key: InChIKey=VXEGBWJMXLJVSC-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 = 163714   

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 7 (Homo sapiens (Human))	BDBM163714 (5-{4-[4-(2-(Methylthio)phenyl)piperazin-1-yl]butyl...) Show SMILES CSc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:19| Show InChI InChI=1S/C24H31N5OS/c1-31-22-13-6-5-12-21(22)29-17-15-28(16-18-29)14-8-7-11-20-24(30)27-26-23(25-20)19-9-3-2-4-10-19/h2-6,9-10,12-13,20H,7-8,11,14-18H2,1H3,(H,25,26)(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-10.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description All assays were incubated in a total volume of 200 mL in 96-well microtiter plates for 1 h at 37 °C, except for 5-HT1ARs which were incubated at room...				Chem Biol Drug Des 86: 697-703 (2015) Article DOI: 10.1111/cbdd.12539 BindingDB Entry DOI: 10.7270/Q2DR2T86
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM163714 (5-{4-[4-(2-(Methylthio)phenyl)piperazin-1-yl]butyl...) Show SMILES CSc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:19| Show InChI InChI=1S/C24H31N5OS/c1-31-22-13-6-5-12-21(22)29-17-15-28(16-18-29)14-8-7-11-20-24(30)27-26-23(25-20)19-9-3-2-4-10-19/h2-6,9-10,12-13,20H,7-8,11,14-18H2,1H3,(H,25,26)(H,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	-10.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Jagiellonian University Medical College					Assay Description All assays were incubated in a total volume of 200 mL in 96-well microtiter plates for 1 h at 37 °C, except for 5-HT1ARs which were incubated at room...				Chem Biol Drug Des 86: 697-703 (2015) Article DOI: 10.1111/cbdd.12539 BindingDB Entry DOI: 10.7270/Q2DR2T86
					More data for this Ligand-Target Pair