BDBM50199547 CHEMBL395520::N,N'-bis(1-oxo-8,15-didehydrolycodinocarbonylethyl)-piperazine

SMILES: CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN1CCN(CCC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1

InChI Key: InChIKey=JPFCQQCDTHCSDC-WQQLCDBNSA-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 = 50199547   

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))	BDBM50199547 (CHEMBL395520 | N,N'-bis(1-oxo-8,15-didehydrolycodi...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN1CCN(CCC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:55,t:1,TLB:0:1:14:4.5.11,THB:43:44:35:46.49.47,39:38:35:46.49.47| Show InChI InChI=1S/C42H54N6O4/c1-27-21-29-23-35-33(7-9-37(49)43-35)41(25-27)31(29)5-3-13-47(41)39(51)11-15-45-17-19-46(20-18-45)16-12-40(52)48-14-4-6-32-30-22-28(2)26-42(32,48)34-8-10-38(50)44-36(34)24-30/h7-10,21-22,29-32H,3-6,11-20,23-26H2,1-2H3,(H,43,49)(H,44,50)/t29-,30-,31+,32+,41+,42+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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