BDBM50199536 CHEMBL395106::N,N-bis(1-oxo-8,15-didehydrolycodinoethyl)-cyclopropylamine

SMILES: CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)C1CC1

InChI Key: InChIKey=XPPYJULWDBEONT-CQLQFIPLSA-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 = 50199536   

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))	BDBM50199536 (CHEMBL395106 | N,N-bis(1-oxo-8,15-didehydrolycodin...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)C1CC1 |c:48,t:1,TLB:41:40:28:30.31.37,10:11:14:13.2.1,6:5:14:13.2.1| Show InChI InChI=1S/C39H51N5O2/c1-25-19-27-21-34-32(9-11-36(45)40-34)38(23-25)30(27)5-3-13-43(38)17-15-42(29-7-8-29)16-18-44-14-4-6-31-28-20-26(2)24-39(31,44)33-10-12-37(46)41-35(33)22-28/h9-12,19-20,27-31H,3-8,13-18,21-24H2,1-2H3,(H,40,45)(H,41,46)/t27-,28-,30+,31+,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	695	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