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BDBM309222 (3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(pyridin-3-yl)phenyl]-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-amine::US9656955, Example 745

SMILES: Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2ccc(F)c(c2)-c2cccnc2)[C@H](C1)c1ccc(F)cc1

InChI Key: InChIKey=VAKFVNJPRWLIHI-VWNXMTODSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 309222   
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))
BDBM309222
PNG
((3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(pyridin-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2ccc(F)c(c2)-c2cccnc2)[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C25H23F2N5O2S/c1-31-15-25(29-16-31)35(33,34)32-13-22(17-4-6-19(26)7-5-17)24(14-32)30-20-8-9-23(27)21(11-20)18-3-2-10-28-12-18/h2-12,15-16,22,24,30H,13-14H2,1H3/t22-,24+/m1/s1
PDB
MMDB

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antibodypedia
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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