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BDBM339905 US9758480, 118

SMILES: N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1

InChI Key: InChIKey=OUZCRSSKDUPRLI-DHESNBRKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339905   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM339905
PNG
(US9758480, 118)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H38FN5O5S/c36-21-29(37)23-11-13-24(14-12-23)35(44)41-18-17-28(22-7-3-1-4-8-22)32(41)34(43)38-26-15-16-30-25(19-26)20-31(39-30)33(42)40-47(45,46)27-9-5-2-6-10-27/h1-10,15-16,19-20,23-24,28-29,32,39H,11-14,17-18,21,37H2,(H,38,43)(H,40,42)/t23-,24-,28-,29-,32+/m1/s1
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 65n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair