BDBM50199541 CHEMBL397501::N,N-bis(1-oxo-8,15-didehydrolycodinocarbonylmethyl)-cyclopropylamine

SMILES: CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)C1CC1

InChI Key: InChIKey=AUPUISUFWLRHDJ-MXWLWILKSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50199541   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50199541 (CHEMBL397501 | N,N-bis(1-oxo-8,15-didehydrolycodin...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)C1CC1 |c:50,t:1,TLB:10:11:14:13.2.1,6:5:14:13.2.1,THB:43:42:30:32.33.39| Show InChI InChI=1S/C39H47N5O4/c1-23-15-25-17-32-30(9-11-34(45)40-32)38(19-23)28(25)5-3-13-43(38)36(47)21-42(27-7-8-27)22-37(48)44-14-4-6-29-26-16-24(2)20-39(29,44)31-10-12-35(46)41-33(31)18-26/h9-12,15-16,25-29H,3-8,13-14,17-22H2,1-2H3,(H,40,45)(H,41,46)/t25-,26-,28+,29+,38+,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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