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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 = 'BDBM241398'   
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))
BDBM241398
PNG
(US9409908, 30)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)c(Cl)ccc3C#N)c3cc-2cc(=O)[nH]3)c1
Show InChI InChI=1S/C32H29ClFN5O5/c1-17-4-3-5-26(39-11-10-18(14-28(39)41)29-19(16-35)6-9-23(33)30(29)34)25-12-20(13-27(40)37-25)22-8-7-21(36-32(43)44-2)15-24(22)38-31(17)42/h6-9,12-15,17,26H,3-5,10-11H2,1-2H3,(H,36,43)(H,37,40)(H,38,42)/t17-,26+/m1/s1
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PC cid
PC sid
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US Patent
0.210n/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