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 = 'BDBM50484593'   

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 (Rattus norvegicus (Rat))	BDBM50484593 (CHEMBL1939311) Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(C)c1 |r| Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane				J Med Chem 54: 7678-92 (2011) Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50484593 (CHEMBL1939311) Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(C)c1 |r| Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane				J Med Chem 54: 7678-92 (2011) Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50484593 (CHEMBL1939311) Show SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cncc(c1)C(=O)Nc1cccc(C)c1 |r| Show InChI InChI=1S/C19H22N4O/c1-13-3-2-4-17(5-13)22-19(24)14-6-18(10-21-7-14)23-11-15-8-20-9-16(15)12-23/h2-7,10,15-16,20H,8-9,11-12H2,1H3,(H,22,24)/t15-,16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay				J Med Chem 54: 7678-92 (2011) Article DOI: 10.1021/jm201045m BindingDB Entry DOI: 10.7270/Q20Z7646
					More data for this Ligand-Target Pair