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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM339917'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM339917
PNG
(US9758480, 170)
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)=O)c1ccccc1
Show InChI InChI=1S/C29H33FN4O4/c30-16-23(31)18-6-8-19(9-7-18)28(36)34-13-12-22(17-4-2-1-3-5-17)26(34)27(35)32-21-10-11-24-20(14-21)15-25(33-24)29(37)38/h1-5,10-11,14-15,18-19,22-23,26,33H,6-9,12-13,16,31H2,(H,32,35)(H,37,38)/t18-,19-,22-,23-,26+/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 76n/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)

More data for this
Ligand-Target Pair