Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199531'   

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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50199531 (1-[16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.01,1...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN1CCN(CC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:53,t:1,TLB:0:1:14:4.5.11,THB:37:36:33:44.47.45,41:42:33:44.47.45| Show InChI InChI=1S/C40H50N6O4/c1-25-17-27-19-33-31(7-9-35(47)41-33)39(21-25)29(27)5-3-11-45(39)37(49)23-43-13-15-44(16-14-43)24-38(50)46-12-4-6-30-28-18-26(2)22-40(30,46)32-8-10-36(48)42-34(32)20-28/h7-10,17-18,27-30H,3-6,11-16,19-24H2,1-2H3,(H,41,47)(H,42,48)/t27-,28-,29+,30+,39+,40+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	5.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex at pH 5				Bioorg Med Chem 15: 1394-408 (2007) Article DOI: 10.1016/j.bmc.2006.11.009 BindingDB Entry DOI: 10.7270/Q27W6BTX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50199531 (1-[16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.01,1...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN1CCN(CC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:53,t:1,TLB:0:1:14:4.5.11,THB:37:36:33:44.47.45,41:42:33:44.47.45| Show InChI InChI=1S/C40H50N6O4/c1-25-17-27-19-33-31(7-9-35(47)41-33)39(21-25)29(27)5-3-11-45(39)37(49)23-43-13-15-44(16-14-43)24-38(50)46-12-4-6-30-28-18-26(2)22-40(30,46)32-8-10-36(48)42-34(32)20-28/h7-10,17-18,27-30H,3-6,11-16,19-24H2,1-2H3,(H,41,47)(H,42,48)/t27-,28-,29+,30+,39+,40+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against acetylcholinesterase from rat cortex homogenate by ellman method was determined				Bioorg Med Chem Lett 15: 523-6 (2005) Article DOI: 10.1016/j.bmcl.2004.11.060 BindingDB Entry DOI: 10.7270/Q2Z89BW8
					More data for this Ligand-Target Pair