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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 = 'BDBM339909'   
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))
BDBM339909
PNG
(US9758480, 133)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccc2)c(F)c1)C1CCCCC1
Show InChI InChI=1S/C33H42F2N4O5S/c34-20-29(36)22-11-13-23(14-12-22)33(42)39-18-17-26(21-7-3-1-4-8-21)30(39)32(41)37-24-15-16-27(28(35)19-24)31(40)38-45(43,44)25-9-5-2-6-10-25/h2,5-6,9-10,15-16,19,21-23,26,29-30H,1,3-4,7-8,11-14,17-18,20,36H2,(H,37,41)(H,38,40)/t22-,23-,26-,29+,30-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 99n/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