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BDBM330041 (4R,12aS)-N-(1-(2,4-difluorophenyl)cyclopropyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxamide::US10689399, Compound 5::US9663528, 5

SMILES: C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NC4(CC4)c4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12

InChI Key: InChIKey=LRWVNSNSOHQKNO-BZNIZROVSA-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 = 330041   
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
POU domain, class 2, transcription factor 2


(Homo sapiens (Human))
BDBM330041
PNG
( (4R,12aS)-N-(1-(2,4-difluorophenyl)cyclopropyl)-7...)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NC4(CC4)c4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H21F2N3O5/c1-11-4-7-32-16-10-26-9-13(18(28)19(29)17(26)21(31)27(11)16)20(30)25-22(5-6-22)14-3-2-12(23)8-15(14)24/h2-3,8-9,11,16,29H,4-7,10H2,1H3,(H,25,30)/t11-,16+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.23E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US10689399 (2020)

More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(Homo sapiens (Human))
BDBM330041
PNG
( (4R,12aS)-N-(1-(2,4-difluorophenyl)cyclopropyl)-7...)
Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NC4(CC4)c4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12
Show InChI InChI=1S/C22H21F2N3O5/c1-11-4-7-32-16-10-26-9-13(18(28)19(29)17(26)21(31)27(11)16)20(30)25-22(5-6-22)14-3-2-12(23)8-15(14)24/h2-3,8-9,11,16,29H,4-7,10H2,1H3,(H,25,30)/t11-,16+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.23E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...


US Patent US9663528 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SVF
More data for this
Ligand-Target Pair