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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

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95857   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
methionyl-tRNA synthetase


(Trypanosoma brucei brucei strain 927/4 GUTat10.1)
BDBM95857
PNG
((2S,3R,12bS)-2-((benzo[d][1,3]dioxol-5-ylmethyl)(m...)
Show SMILES C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C26H29N3O4/c1-15(30)24-20(28(2)13-16-7-8-22-23(11-16)33-14-32-22)12-21-25-18(9-10-29(21)26(24)31)17-5-3-4-6-19(17)27-25/h3-8,11,15,20-21,24,27,30H,9-10,12-14H2,1-2H3/t15-,20-,21-,24-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 672n/an/an/an/an/an/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