BDBM47612 2-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-8-methyl-[1,2,4]triazino[5,6-b]indol-5-yl]ethanoic acid::2-[3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-8-methyl-[1,2,4]triazino[5,6-b]indol-5-yl]acetic acid::2-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-8-methyl-[1,2,4]triazin[5,6-b]indol-5-yl]acetic acid::2-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-8-methyl-[1,2,4]triazino[5,6-b]indol-5-yl]acetic acid::MLS000716428::SMR000277945::cid_3227807

SMILES Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)N4CCCc5ccccc45)nnc3c2c1

InChI Key InChIKey=OSQJWFBCSFSRRV-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 47612   

TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM47612(2-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl...)
Affinity DataIC50: 2.68E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
LigandPNGBDBM47612(2-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl...)
Affinity DataEC50:  6.97E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay