BDBM95857 (2S,3R,12bS)-2-((benzo[d][1,3]dioxol-5-ylmethyl)(methyl)amino)-3-((S)-1-hydroxyethyl)-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4(12H)-one::(2S,3R,12bS)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[(1S)-1-hydroxyethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one::(2S,3R,12bS)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[(1S)-1-oxidanylethyl]-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one::(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-2-[methyl(piperonyl)amino]-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]-carbolin-4-one::MLS002920945::SMR001798410::cid_46902355
SMILES: C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)Cc1ccc2OCOc2c1
InChI Key: InChIKey=CFNBSJDMYAEBMY-HOOUFKQNSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
methionyl-tRNA synthetase (Trypanosoma brucei brucei strain 927/4 GUTat10.1) | BDBM95857 ((2S,3R,12bS)-2-((benzo[d][1,3]dioxol-5-ylmethyl)(m...) | PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 672 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2XP73JZ | ||||||||||||
More data for this Ligand-Target Pair |