Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50445328'   

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))	BDBM50445328 (CHEMBL3104241) Show SMILES [#7]-[#6]-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C59H96N26O17S4/c60-22-42(88)74-37-24-103-104-26-39-52(99)77-31(7-2-16-71-57(64)65)45(92)79-34(20-28-11-13-29(87)14-12-28)48(95)76-32(8-3-17-72-58(66)67)46(93)82-38(51(98)75-30(44(61)91)6-1-15-70-56(62)63)25-105-106-27-40(84-50(37)97)53(100)81-36(23-86)49(96)80-35(21-43(89)90)55(102)85-19-5-10-41(85)54(101)78-33(47(94)83-39)9-4-18-73-59(68)69/h11-14,30-41,86-87H,1-10,15-27,60H2,(H2,61,91)(H,74,88)(H,75,98)(H,76,95)(H,77,99)(H,78,101)(H,79,92)(H,80,96)(H,81,100)(H,82,93)(H,83,94)(H,84,97)(H,89,90)(H4,62,63,70)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hainan University Curated by ChEMBL					Assay Description Inhibition of alpha7 (unknown origin) nAChR				J Med Chem 56: 9655-63 (2014) Article DOI: 10.1021/jm401254c BindingDB Entry DOI: 10.7270/Q22Z171M
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