BDBM50236715 CHEMBL4067210

SMILES: C[C@H](N)Cn1ncc2ccc3OCCCc3c12

InChI Key: InChIKey=FJRIVFVALIEIOY-VIFPVBQESA-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 = 50236715   

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 2A (Rattus norvegicus (rat))	BDBM50236715 (CHEMBL4067210) Show SMILES C[C@H](N)Cn1ncc2ccc3OCCCc3c12 |r| Show InChI InChI=1S/C13H17N3O/c1-9(14)8-16-13-10(7-15-16)4-5-12-11(13)3-2-6-17-12/h4-5,7,9H,2-3,6,8,14H2,1H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1				J Med Chem 60: 2605-2628 (2017) Article DOI: 10.1021/acs.jmedchem.7b00085 BindingDB Entry DOI: 10.7270/Q2DJ5HWM
					More data for this Ligand-Target Pair