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BDBM320994 Methyl 4-[2-[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamoylamino)methyl]tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl]-3,5-difluoro-benzoate::US10174040, Example 58

SMILES: COC(=O)c1cc(F)c(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1

InChI Key: InChIKey=MQCZFQZDPHAHGJ-WVSUBDOOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 320994   
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
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM320994
PNG
(Methyl 4-[2-[4-amino-7-[(2R,3R,4S,5R)-3,4-dihydrox...)
Show SMILES COC(=O)c1cc(F)c(C#Cc2cn([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C21H20F2N6O7S/c1-35-21(32)10-4-12(22)11(13(23)5-10)3-2-9-7-29(19-15(9)18(24)26-8-27-19)20-17(31)16(30)14(36-20)6-28-37(25,33)34/h4-5,7-8,14,16-17,20,28,30-31H,6H2,1H3,(H2,24,26,27)(H2,25,33,34)/t14-,16-,17-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<3n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number:...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair