BDBM50419462 CHEMBL1923534

SMILES: NCCSc1nc(C2CCCCC2)n(n1)-c1ccccc1

InChI Key: InChIKey=URWAMRSFMYPXOS-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 = 50419462   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50419462 (CHEMBL1923534) Show SMILES NCCSc1nc(C2CCCCC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C16H22N4S/c17-11-12-21-16-18-15(13-7-3-1-4-8-13)20(19-16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting				J Med Chem 54: 8195-206 (2011) Article DOI: 10.1021/jm2011589 BindingDB Entry DOI: 10.7270/Q2QF8T85
					More data for this Ligand-Target Pair