BindingDB logo
myBDB logout

BDBM321044 4-Amino-5-[2-(2-ethoxy-6-fluoro-phenyl)ethynyl]-7-[(2R,4S,5R)-4-hydroxy-5-[(sulfamoylamino)methyl]tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine::US10174040, Example 127

SMILES: CCOc1cccc(F)c1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12

InChI Key: InChIKey=BXBUFFXQKGSKKI-CGTJXYLNSA-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 = 321044   
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
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM321044
PNG
(4-Amino-5-[2-(2-ethoxy-6-fluoro-phenyl)ethynyl]-7-...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O5S/c1-2-32-16-5-3-4-14(22)13(16)7-6-12-10-28(21-19(12)20(23)25-11-26-21)18-8-15(29)17(33-18)9-27-34(24,30)31/h3-5,10-11,15,17-18,27,29H,2,8-9H2,1H3,(H2,23,25,26)(H2,24,30,31)/t15-,17+,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 340n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrop...


US Patent US10174040 (2019)

More data for this
Ligand-Target Pair
NEDD8-conjugating enzyme UBE2F


(Homo sapiens (human))
BDBM321044
PNG
(4-Amino-5-[2-(2-ethoxy-6-fluoro-phenyl)ethynyl]-7-...)
Show SMILES CCOc1cccc(F)c1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O5S/c1-2-32-16-5-3-4-14(22)13(16)7-6-12-10-28(21-19(12)20(23)25-11-26-21)18-8-15(29)17(33-18)9-27-34(24,30)31/h3-5,10-11,15,17-18,27,29H,2,8-9H2,1H3,(H2,23,25,26)(H2,24,30,31)/t15-,17+,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/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