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BDBM321025 4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]-5-[2-(2-fluoro-6-methylsulfanyl-phenyl)ethynyl]pyrrolo[2,3-d]pyrimidine::US10174040, Example 98

SMILES: CSc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12

InChI Key: InChIKey=TZELMHYYCBRWPU-SNTIZLKRSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 321025   
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))
BDBM321025
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CSc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O4S2/c1-33-16-4-2-3-14(22)13(16)6-5-11-9-28(21-17(11)20(23)25-10-26-21)15-7-12(18(29)19(15)30)8-27-34(24,31)32/h2-4,9-10,12,15,18-19,27,29-30H,7-8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t12-,15-,18-,19+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/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))
BDBM321025
PNG
(4-Amino-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamo...)
Show SMILES CSc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C21H23FN6O4S2/c1-33-16-4-2-3-14(22)13(16)6-5-11-9-28(21-17(11)20(23)25-10-26-21)15-7-12(18(29)19(15)30)8-27-34(24,31)32/h2-4,9-10,12,15,18-19,27,29-30H,7-8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t12-,15-,18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.30n/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