BDBM163717 5-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl}-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one (16)

SMILES: Clc1cccc(N2CCN(CCCCC3NC(=NNC3=O)c3ccccc3)CC2)c1Cl

InChI Key: InChIKey=IWSOWSCXJKNBJL-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 = 163717   

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))	BDBM163717 (5-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl}-...) Show SMILES Clc1cccc(N2CCN(CCCCC3NC(=NNC3=O)c3ccccc3)CC2)c1Cl |c:16| Show InChI InChI=1S/C23H27Cl2N5O/c24-18-9-6-11-20(21(18)25)30-15-13-29(14-16-30)12-5-4-10-19-23(31)28-27-22(26-19)17-7-2-1-3-8-17/h1-3,6-9,11,19H,4-5,10,12-16H2,(H,26,27)(H,28,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-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))	BDBM163717 (5-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl}-...) Show SMILES Clc1cccc(N2CCN(CCCCC3NC(=NNC3=O)c3ccccc3)CC2)c1Cl |c:16| Show InChI InChI=1S/C23H27Cl2N5O/c24-18-9-6-11-20(21(18)25)30-15-13-29(14-16-30)12-5-4-10-19-23(31)28-27-22(26-19)17-7-2-1-3-8-17/h1-3,6-9,11,19H,4-5,10,12-16H2,(H,26,27)(H,28,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	70	-9.75	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