BDBM50202731 CHEMBL3983211

SMILES: OC(=O)\C=C\C(O)=O.CN1CCC(CC1)Oc1ccccc1

InChI Key: InChIKey=BPPNPRNZYAGHOE-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 = 50202731   

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))	BDBM50202731 (CHEMBL3983211) Show SMILES OC(=O)\C=C\C(O)=O.CN1CCC(CC1)Oc1ccccc1 Show InChI InChI=1S/C12H17NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]mepyramine from human wild type N-terminal hemagglutinin-tagged histamine H1 receptor expressed in HEK293T cells after 4 hrs by m...				J Med Chem 59: 9047-9061 (2016) Article DOI: 10.1021/acs.jmedchem.6b00981 BindingDB Entry DOI: 10.7270/Q2G44S8Z
					More data for this Ligand-Target Pair