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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 = 'BDBM50153887'   
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))
BDBM50153887
PNG
(CHEMBL3775906)
Show SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@](O)(c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r|
Show InChI InChI=1S/C26H21Cl2FN6O2/c1-14-31-13-35(34-14)19-10-20(27)24(21(28)11-19)25(36)30-12-26(37,16-4-3-5-18(29)8-16)17-6-7-22-23(9-17)33-15(2)32-22/h3-11,13,37H,12H2,1-2H3,(H,30,36)(H,32,33)/t26-/m1/s1
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Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using CH3SO2-DCHG-Gly-Arg-AFC.AcOH as substrate preinubated for 30 mins followed by substrate addition measured after 1...


J Med Chem 59: 1818-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01293
BindingDB Entry DOI: 10.7270/Q29Z96S8
More data for this
Ligand-Target Pair