BDBM50017444 4-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-3,3-dioxo-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*2,6*]decan-5-one; dihydrochloride::CHEMBL3216410::CHEMBL543014

SMILES: Cl.Cl.Cl.Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3S2(=O)=O)CC1

InChI Key: InChIKey=FYSRACFPQILPOX-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50017444   

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 1A (Rattus norvegicus (rat))	BDBM50017444 (4-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-3...) Show SMILES Cl.Cl.Cl.Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3S2(=O)=O)CC1 Show InChI InChI=1S/C22H30ClN3O3S/c23-18-4-3-5-19(15-18)25-12-10-24(11-13-25)8-1-2-9-26-22(27)20-16-6-7-17(14-16)21(20)30(26,28)29/h3-5,15-17,20-21H,1-2,6-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 25 - 84				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair