BDBM50017440 4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl)-butyl]-3,3-dioxo-10-oxa-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*2,6*]decan-5-one; hydrochloride::CHEMBL537242

SMILES: Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1

InChI Key: InChIKey=HLROAEPUXYKMFI-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 = 50017440   

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))	BDBM50017440 (4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...) Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1 Show InChI InChI=1S/C19H26ClN5O4S/c20-15-11-21-12-16(22-15)24-9-7-23(8-10-24)5-1-2-6-25-19(26)17-13-3-4-14(29-13)18(17)30(25,27)28/h11-14,17-18H,1-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	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 (94%CI) from 391-841				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair