Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-6/beta-2' and Ligand = 'BDBM50481207'   

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-6/beta-2 (Homo sapiens (Human))	BDBM50481207 (CHEMBL595286) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C54H85N13O17S4/c1-25(2)17-31(44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(24-88)54(83)84)59-51(80)41(26(3)4)64-43(72)27(5)56-47(76)35(22-86)62-50(79)38-9-7-15-66(38)52(81)39-10-8-16-67(39)53(82)42(28(6)69)65-46(75)33(20-68)60-49(78)36(23-87)61-48(77)34(21-85)57-40(71)19-55/h11-14,25-28,31-39,41-42,68-70,85-88H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Boise State University Curated by ChEMBL					Assay Description Inhibition of alpha6beta2 nAChR				Bioorg Med Chem 17: 5894-9 (2009) Article DOI: 10.1016/j.bmc.2009.07.005 BindingDB Entry DOI: 10.7270/Q2474DN8
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