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SMILES: CC(=O)N1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1

InChI Key: InChIKey=RQGCWKKYDAVZGQ-UHFFFAOYSA-N

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 2 hits for monomerid = 453263   
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
Putative sugar transporter


(Plasmodium falciparum)
BDBM453263
PNG
(2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...)
Show SMILES CC(=O)N1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1
Show InChI InChI=1S/C30H33N7O3/c1-19(38)37-13-12-26-25(17-37)29(33-23-10-8-20(9-11-23)22-15-31-32-16-22)35-28(34-26)21-6-5-7-24(14-21)40-18-27(39)36-30(2,3)4/h5-11,14-16H,12-13,17-18H2,1-4H3,(H,31,32)(H,36,39)(H,33,34,35)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



KADMON CORPORATION, LLC

US Patent


Assay Description
Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 μL total volume) with varying concentrations of t...


US Patent US10729691 (2020)

More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))
BDBM453263
PNG
(2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-acety...)
Show SMILES CC(=O)N1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1
Show InChI InChI=1S/C30H33N7O3/c1-19(38)37-13-12-26-25(17-37)29(33-23-10-8-20(9-11-23)22-15-31-32-16-22)35-28(34-26)21-6-5-7-24(14-21)40-18-27(39)36-30(2,3)4/h5-11,14-16H,12-13,17-18H2,1-4H3,(H,31,32)(H,36,39)(H,33,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



KADMON CORPORATION, LLC

US Patent


Assay Description
HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 μM Oligomyci...


US Patent US10729691 (2020)

More data for this
Ligand-Target Pair