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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 = 'BDBM339914'   
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))
BDBM339914
PNG
(US9758480, 146)
Show SMILES N[C@H](C(F)F)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C29H37F2N3O5/c30-26(31)24(32)17-6-8-18(9-7-17)28(36)34-13-12-21(16-4-2-1-3-5-16)25(34)27(35)33-20-10-11-22-19(14-20)15-23(39-22)29(37)38/h10-11,14-18,21,24-26H,1-9,12-13,32H2,(H,33,35)(H,37,38)/t17-,18-,21-,24-,25-/m0/s1
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MMDB

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PC cid
PC sid
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US Patent
n/an/a 916n/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