BDBM50199531 1-[16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-14-yl]-2-(4-{2-[16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-14-yl]-2-oxoethyl}hexahydro-1-pyrazinyl)-1-ethanone::CHEMBL244870::N,N'-bis(1-oxo-8,15-didehydrolycodinocarbonylmethyl)-piperazine
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
InChI Key: InChIKey=YLMDHVYBEGPFKG-JQMXGAKRSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM50199531 (1-[16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.01,1...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibitory concentration against butyrylcholinesterase from rat serum | 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 | |||||||||||||
Carboxylic ester hydrolase (Rattus norvegicus (rat)) | BDBM50199531 (1-[16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.01,1...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of BuChE in rat serum | 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...) | 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...) | 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 |