BDBM50419468 CHEMBL434001

SMILES: OCCN1CCN(CC1)c1ncnc2c3ccccc3oc12

InChI Key: InChIKey=DSKGOKHOBPYUEE-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 = 50419468   

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))	BDBM50419468 (CHEMBL434001) Show SMILES OCCN1CCN(CC1)c1ncnc2c3ccccc3oc12 Show InChI InChI=1S/C16H18N4O2/c21-10-9-19-5-7-20(8-6-19)16-15-14(17-11-18-16)12-3-1-2-4-13(12)22-15/h1-4,11,21H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.37E+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