Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199548'   

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))	BDBM50199548 (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)CN1CCCN(CC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:54,t:1,TLB:0:1:14:4.5.11,THB:38:37:34:45.48.46,42:43:34:45.48.46| Show InChI InChI=1S/C41H52N6O4/c1-26-18-28-20-34-32(8-10-36(48)42-34)40(22-26)30(28)6-3-14-46(40)38(50)24-44-12-5-13-45(17-16-44)25-39(51)47-15-4-7-31-29-19-27(2)23-41(31,47)33-9-11-37(49)43-35(33)21-29/h8-11,18-19,28-31H,3-7,12-17,20-25H2,1-2H3,(H,42,48)(H,43,49)/t28-,29-,30+,31+,40+,41+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50199548 (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)CN1CCCN(CC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:54,t:1,TLB:0:1:14:4.5.11,THB:38:37:34:45.48.46,42:43:34:45.48.46| Show InChI InChI=1S/C41H52N6O4/c1-26-18-28-20-34-32(8-10-36(48)42-34)40(22-26)30(28)6-3-14-46(40)38(50)24-44-12-5-13-45(17-16-44)25-39(51)47-15-4-7-31-29-19-27(2)23-41(31,47)33-9-11-37(49)43-35(33)21-29/h8-11,18-19,28-31H,3-7,12-17,20-25H2,1-2H3,(H,42,48)(H,43,49)/t28-,29-,30+,31+,40+,41+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	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