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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 = 'BDBM241541'   
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))
BDBM241541
PNG
(US9409908, 173)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cccc-2c3)c1
Show InChI InChI=1S/C33H30ClFN4O4/c1-19-5-3-8-28(39-14-13-22(16-29(39)40)30-23(18-36)9-12-26(34)31(30)35)21-7-4-6-20(15-21)25-11-10-24(37-33(42)43-2)17-27(25)38-32(19)41/h4,6-7,9-12,15-17,19,28H,3,5,8,13-14H2,1-2H3,(H,37,42)(H,38,41)/t19-,28+/m1/s1
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PC cid
PC sid
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US Patent
0.420n/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