BDBM50538047 CHEMBL4647019

SMILES: [H][C@@]12C[C@]1([H])[C@@H](COc1ccc(Cl)nc1)NC2

InChI Key: InChIKey=XBSNMYAFJJSQQL-UJNFCWOMSA-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 = 50538047   

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))	BDBM50538047 (CHEMBL4647019) Show SMILES [H][C@@]12C[C@]1([H])[C@@H](COc1ccc(Cl)nc1)NC2 |r| Show InChI InChI=1S/C11H13ClN2O/c12-11-2-1-8(5-14-11)15-6-10-9-3-7(9)4-13-10/h1-2,5,7,9-10,13H,3-4,6H2/t7-,9-,10+/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	0.200	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