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BDBM308608 BDBM308811::US9656955, Example 94::trans-N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-amine

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

InChI Key: InChIKey=KAWLEQDIBOZKFD-RBUKOAKNSA-N

Data: 2 KI

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 = 308608   
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))
BDBM308608
PNG
(BDBM308811 | US9656955, Example 94 | trans-N-(3-ch...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@@H](Nc2cccc(Cl)c2)[C@@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H20ClFN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-18(14-5-7-16(22)8-6-14)19(11-26)24-17-4-2-3-15(21)9-17/h2-9,12-13,18-19,24H,10-11H2,1H3/t18-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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
Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM308608
PNG
(BDBM308811 | US9656955, Example 94 | trans-N-(3-ch...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@@H](Nc2cccc(Cl)c2)[C@@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H20ClFN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-18(14-5-7-16(22)8-6-14)19(11-26)24-17-4-2-3-15(21)9-17/h2-9,12-13,18-19,24H,10-11H2,1H3/t18-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<1.00E+3n/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