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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM241404'   
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 IX


(Homo sapiens (Human))
BDBM241404
PNG
(US9409908, 36)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3C(F)(F)F)c3cc-2ccn3)c1 |r,c:22|
Show InChI InChI=1/C32H30ClF3N4O4/c1-18-4-3-5-28(40-13-11-20(15-29(40)41)24-16-21(33)6-9-25(24)32(34,35)36)27-14-19(10-12-37-27)23-8-7-22(38-31(43)44-2)17-26(23)39-30(18)42/h6-10,12,14-18,28H,3-5,11,13H2,1-2H3,(H,38,43)(H,39,42)/t18-,28+/s2
PDB
MMDB

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US Patent
0.0900n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair