Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50538063'   

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))	BDBM50538063 (CHEMBL4642118) Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.5	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) Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50538063 (CHEMBL4642118) Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells assessed as reduction in acetylcholine-induced currents at -80 mV...				J Med Chem 63: 2833-2853 (2020) Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50538063 (CHEMBL4642118) Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.34E+5	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description In vivo receptor occupancy at alpha4beta2 nAChR in Wistar rat assessed as brain concentration pretreated for 15 mins followed by non radiolabelled ZW...				J Med Chem 63: 2833-2853 (2020) Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50538063 (CHEMBL4642118) Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.59E+5	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description In vivo receptor occupancy at alpha4beta2 nAChR in Wistar rat assessed as plasma concentration pretreated for 15 mins followed by non radiolabelled Z...				J Med Chem 63: 2833-2853 (2020) Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ
					More data for this Ligand-Target Pair