BDBM50538027 CHEMBL4644169

SMILES: [H][C@]12C[C@@]1([H])N(C)[C@H](COc1cncc(Cl)c1)C2

InChI Key: InChIKey=APBRBJOIYDBKFZ-PTOFAABTSA-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 = 50538027   

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
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50538027 (CHEMBL4644169) Show SMILES [H][C@]12C[C@@]1([H])N(C)[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C12H15ClN2O/c1-15-10(2-8-3-12(8)15)7-16-11-4-9(13)5-14-6-11/h4-6,8,10,12H,2-3,7H2,1H3/t8-,10-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method				J Med Chem 63: 2833-2853 (2020)
					More data for this Ligand-Target Pair