Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50530971'   

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-7 (Homo sapiens (Human))	BDBM50530971 (CHEMBL4440571) Show SMILES FC(F)(F)c1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C21H16F3N5S/c22-21(23,24)20-27-18(15-7-10-30-14-15)11-19(28-20)29(12-16-5-1-3-8-25-16)13-17-6-2-4-9-26-17/h1-11,14H,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530971 (CHEMBL4440571) Show SMILES FC(F)(F)c1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C21H16F3N5S/c22-21(23,24)20-27-18(15-7-10-30-14-15)11-19(28-20)29(12-16-5-1-3-8-25-16)13-17-6-2-4-9-26-17/h1-11,14H,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair