Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50398848'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398848 (CHEMBL2178156) Show SMILES N#Cc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1 |r,t:9| Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398848 (CHEMBL2178156) Show SMILES N#Cc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1 |r,t:9| Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	256	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR high sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50398848 (CHEMBL2178156) Show SMILES N#Cc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1 |r,t:9| Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.19E+3	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR low sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR				J Med Chem 55: 9929-45 (2012) Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B
					More data for this Ligand-Target Pair