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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 = 'BDBM339911'   
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))
BDBM339911
PNG
(US9758480, 137)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(F)c1)C1CCCCC1
Show InChI InChI=1S/C34H44F2N4O3/c35-20-30(37)24-11-13-25(14-12-24)34(43)40-18-17-27(23-9-5-2-6-10-23)31(40)33(42)39-26-15-16-28(29(36)19-26)32(41)38-21-22-7-3-1-4-8-22/h1,3-4,7-8,15-16,19,23-25,27,30-31H,2,5-6,9-14,17-18,20-21,37H2,(H,38,41)(H,39,42)/t24-,25-,27-,30+,31-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 380n/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