BindingDB logo
myBDB logout

BDBM96116 MLS003120185::N-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide::SMR001289441::cid_49790960

InChI string: InChI=1S/C25H27N3O4/c1-25(24(29)27-17-8-11-21(30-4)22(14-17)31-5)15-20-19(12-13-26-23(20)32-25)16-6-9-18(10-7-16)28(2)3/h6-14H,15H2,1-5H3,(H,27,29)

SMILES: COc1ccc(NC(=O)C2(C)Cc3c(O2)nccc3-c2ccc(cc2)N(C)C)cc1OC

InChI Key: InChIKey=JXTYODTVJPDGEU-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 = 96116   
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))
BDBM96116
PNG
(MLS003120185 | N-(3,4-dimethoxyphenyl)-4-[4-(dimet...)
Show SMILES COc1ccc(NC(=O)C2(C)Cc3c(O2)nccc3-c2ccc(cc2)N(C)C)cc1OC
Show InChI InChI=1S/C25H27N3O4/c1-25(24(29)27-17-8-11-21(30-4)22(14-17)31-5)15-20-19(12-13-26-23(20)32-25)16-6-9-18(10-7-16)28(2)3/h6-14H,15H2,1-5H3,(H,27,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 731n/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