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BDBM339926 Pentyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-(trans-4-methoxycyclohexyl)-L-prolyl]amino}-1-benzofuran-2-carboxylate::US9758480, 212

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)N1CCOCC1)C1CCCCC1

InChI Key: InChIKey=XBKMYSKKKIXTGU-IQUGSAJESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339926   
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))
BDBM339926
PNG
(Pentyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxyc...)
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)N1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C33H47FN6O6S/c34-20-27(35)22-6-8-23(9-7-22)33(43)40-13-12-26(21-4-2-1-3-5-21)30(40)32(42)36-25-10-11-28-24(18-25)19-29(37-28)31(41)38-47(44,45)39-14-16-46-17-15-39/h10-11,18-19,21-23,26-27,30,37H,1-9,12-17,20,35H2,(H,36,42)(H,38,41)/t22-,23-,26-,27+,30-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 8n/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