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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 = 'BDBM339923'   
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))
BDBM339923
PNG
(US9758480, 196)
Show SMILES COCCOCCCOC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CC[C@@H](CC3)OC)ccc2o1
Show InChI InChI=1S/C36H52FN3O8/c1-44-18-19-46-16-3-17-47-36(43)32-21-26-20-27(10-13-31(26)48-32)39-34(41)33-29(23-8-11-28(45-2)12-9-23)14-15-40(33)35(42)25-6-4-24(5-7-25)30(38)22-37/h10,13,20-21,23-25,28-30,33H,3-9,11-12,14-19,22,38H2,1-2H3,(H,39,41)/t23?,24-,25-,28-,29-,30+,33-/m0/s1
PDB
MMDB

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+3n/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