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BDBM356844 US10214492, Example 194

SMILES: Cn1cnc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OC4CC4)c3)c12

InChI Key: InChIKey=PVFQDGXMQOACBM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 356844   
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
Monocarboxylate transporter 1


(Homo sapiens (Human))
BDBM356844
PNG
(US10214492, Example 194)
Show SMILES Cn1cnc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OC4CC4)c3)c12
Show InChI InChI=1S/C25H26N4O4/c1-25(2,24(30)31)32-14-17-13-22(16-6-4-7-19(12-16)33-18-10-11-18)29(27-17)21-9-5-8-20-23(21)28(3)15-26-20/h4-9,12-13,15,18H,10-11,14H2,1-3H3,(H,30,31)
PDB

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UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+5n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair
Monocarboxylate transporter 4


(Homo sapiens (Human))
BDBM356844
PNG
(US10214492, Example 194)
Show SMILES Cn1cnc2cccc(-n3nc(COC(C)(C)C(O)=O)cc3-c3cccc(OC4CC4)c3)c12
Show InChI InChI=1S/C25H26N4O4/c1-25(2,24(30)31)32-14-17-13-22(16-6-4-7-19(12-16)33-18-10-11-18)29(27-17)21-9-5-8-20-23(21)28(3)15-26-20/h4-9,12-13,15,18H,10-11,14H2,1-3H3,(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+3n/an/an/an/an/an/a



Vettore, LLC

US Patent


Assay Description
MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to ...


US Patent US10214492 (2019)


BindingDB Entry DOI: 10.7270/Q2Q81GC0
More data for this
Ligand-Target Pair