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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 = 'BDBM339910'   
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))
BDBM339910
PNG
(US9758480, 134)
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)c2ccccn2)c(F)c1)C1CCCCC1
Show InChI InChI=1S/C32H41F2N5O5S/c33-19-27(35)21-9-11-22(12-10-21)32(42)39-17-15-24(20-6-2-1-3-7-20)29(39)31(41)37-23-13-14-25(26(34)18-23)30(40)38-45(43,44)28-8-4-5-16-36-28/h4-5,8,13-14,16,18,20-22,24,27,29H,1-3,6-7,9-12,15,17,19,35H2,(H,37,41)(H,38,40)/t21-,22-,24-,27+,29-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 54n/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