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BDBM309221 (3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-3-amine::US9656955, Example 744

SMILES: Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OCC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1

InChI Key: InChIKey=PZWKOFGVFHWMER-UXHICEINSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 309221   
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
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM309221
PNG
((3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazo...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OCC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C22H22F4N4O3S/c1-29-12-21(27-14-29)34(31,32)30-10-19(15-5-7-16(23)8-6-15)20(11-30)28-17-3-2-4-18(9-17)33-13-22(24,25)26/h2-9,12,14,19-20,28H,10-11,13H2,1H3/t19-,20+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
<10n/an/an/an/an/an/an/an/a



AbbVie Inc.; AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding assays using recombinant CHO cell membranes expressing human GlyT1: Radioligand binding to human GlyT1c transporter-expressing me...


US Patent US9656955 (2017)


BindingDB Entry DOI: 10.7270/Q2Z60R48
More data for this
Ligand-Target Pair