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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 = 'BDBM241412'   
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))
BDBM241412
PNG
(US9409908, 44)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3OC(F)F)c3cc-2ccn3)c1 |r,c:22|
Show InChI InChI=1/C32H31ClF2N4O5/c1-18-4-3-5-27(39-13-11-20(15-29(39)40)24-16-21(33)6-9-28(24)44-31(34)35)26-14-19(10-12-36-26)23-8-7-22(37-32(42)43-2)17-25(23)38-30(18)41/h6-10,12,14-18,27,31H,3-5,11,13H2,1-2H3,(H,37,42)(H,38,41)/t18-,27+/s2
PDB
MMDB

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US Patent
0.130n/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