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BDBM96211 8-Methoxy-3-pyridin-4-ylmethyl-3,5-dihydro-pyrimido[5,4-b]indol-4-one::8-methoxy-3-(4-pyridylmethyl)-5H-pyrimid[5,4-b]indol-4-one::8-methoxy-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one::MLS000766602::SMR000414577::cid_914878

InChI string: InChI=1S/C17H14N4O2/c1-23-12-2-3-14-13(8-12)15-16(20-14)17(22)21(10-19-15)9-11-4-6-18-7-5-11/h2-8,10,20H,9H2,1H3

SMILES: COc1ccc2[nH]c3c(ncn(Cc4ccncc4)c3=O)c2c1

InChI Key: InChIKey=JZJZTFFXABJCJL-UHFFFAOYSA-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 = 96211   
Target
(Institution)
LigandTarget
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
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM96211
PNG
(8-Methoxy-3-pyridin-4-ylmethyl-3,5-dihydro-pyrimid...)
Show SMILES COc1ccc2[nH]c3c(ncn(Cc4ccncc4)c3=O)c2c1
Show InChI InChI=1S/C17H14N4O2/c1-23-12-2-3-14-13(8-12)15-16(20-14)17(22)21(10-19-15)9-11-4-6-18-7-5-11/h2-8,10,20H,9H2,1H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
AffyNet 
PCBioAssay
n/an/a 970n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair