BDBM50174142 7-isobutyl-6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene::CHEMBL199097

SMILES: CC(C)Cn1c(C)nc2cc3C4CC(CNC4)c3cc12

InChI Key: InChIKey=NNEPQECWOJJCPU-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174142   

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))	BDBM50174142 (7-isobutyl-6-methyl-5,7,13-triazatetracyclo[9.3.1....) Show SMILES CC(C)Cn1c(C)nc2cc3C4CC(CNC4)c3cc12 Show InChI InChI=1S/C17H23N3/c1-10(2)9-20-11(3)19-16-5-14-12-4-13(8-18-7-12)15(14)6-17(16)20/h5-6,10,12-13,18H,4,7-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine				Bioorg Med Chem Lett 15: 4889-97 (2005) Article DOI: 10.1016/j.bmcl.2005.08.035 BindingDB Entry DOI: 10.7270/Q2MS3TJC
					More data for this Ligand-Target Pair