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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 = 'BDBM339904'   
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))
BDBM339904
PNG
(US9758480, 115)
Show SMILES Cc1noc(n1)-c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1
Show InChI InChI=1S/C29H40FN5O3/c1-18-32-28(38-34-18)21-11-13-23(14-12-21)33-27(36)26-24(19-5-3-2-4-6-19)15-16-35(26)29(37)22-9-7-20(8-10-22)25(31)17-30/h11-14,19-20,22,24-26H,2-10,15-17,31H2,1H3,(H,33,36)/t20-,22-,24-,25+,26-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+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