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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 = 'BDBM339907'   
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))
BDBM339907
PNG
(US9758480, 122)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)NS(=O)(=O)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C33H40FN5O7S/c34-20-27(35)22-6-8-23(9-7-22)33(42)39-13-12-26(21-4-2-1-3-5-21)30(39)32(41)36-25-10-11-28-24(18-25)19-29(46-28)31(40)37-47(43,44)38-14-16-45-17-15-38/h1-5,10-11,18-19,22-23,26-27,30H,6-9,12-17,20,35H2,(H,36,41)(H,37,40)/t22-,23-,26-,27-,30+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 690n/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