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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50448593'   
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 X


(Homo sapiens (Human))
BDBM50448593
PNG
(CHEMBL3127481)
Show SMILES CC(C)NC(=O)c1ccc(-c2cccc(c2)[C@@H]2C[C@](C)(c3ccccc3)c3cc(ccc3N2)C(N)=N)c(c1)C(O)=O |r|
Show InChI InChI=1S/C34H34N4O3/c1-20(2)37-32(39)24-12-14-26(27(17-24)33(40)41)21-8-7-9-22(16-21)30-19-34(3,25-10-5-4-6-11-25)28-18-23(31(35)36)13-15-29(28)38-30/h4-18,20,30,38H,19H2,1-3H3,(H3,35,36)(H,37,39)(H,40,41)/t30-,34+/m0/s1
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MMDB

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Similars

Article
PubMed
1.31E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis


J Med Chem 57: 955-69 (2014)


Article DOI: 10.1021/jm401670x
BindingDB Entry DOI: 10.7270/Q2G44RTQ
More data for this
Ligand-Target Pair