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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 = 'BDBM241519'   
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))
BDBM241519
PNG
(US9409908, 151)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CCC(=CC1=O)c1cccc(Cl)c1F |r,c:32|
Show InChI InChI=1/C30H31ClFN5O4/c1-16-6-4-9-24(37-13-12-18(14-25(37)38)20-7-5-8-22(31)26(20)32)28-33-17(2)27(36-28)21-11-10-19(34-30(40)41-3)15-23(21)35-29(16)39/h5,7-8,10-11,14-16,24H,4,6,9,12-13H2,1-3H3,(H,33,36)(H,34,40)(H,35,39)/t16-,24+/s2
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US Patent
0.840n/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