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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 = 'BDBM50097774'   
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))
BDBM50097774
PNG
(CHEMBL20912 | N-{[(4-Aminomethyl-cyclohexylmethyl)...)
Show SMILES NCC1CCC(CNC(=O)CNC(=O)c2cccc(c2)C(N)=N)CC1 |(12.62,-.24,;11.29,.55,;9.96,-.22,;8.63,.55,;7.28,-.22,;7.29,-1.74,;5.95,-2.51,;4.62,-1.74,;3.28,-2.51,;3.28,-4.05,;1.96,-1.74,;.62,-2.5,;-.71,-1.74,;-.73,-.2,;-2.04,-2.51,;-2.04,-4.07,;-3.36,-4.84,;-4.68,-4.09,;-4.71,-2.53,;-3.37,-1.76,;-6.03,-1.78,;-7.35,-2.57,;-6.05,-.24,;8.63,-2.53,;9.96,-1.76,)|
Show InChI InChI=1S/C18H27N5O2/c19-9-12-4-6-13(7-5-12)10-22-16(24)11-23-18(25)15-3-1-2-14(8-15)17(20)21/h1-3,8,12-13H,4-7,9-11,19H2,(H3,20,21)(H,22,24)(H,23,25)
PDB
MMDB

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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Prosthetics Molecular Design

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor Xa


Bioorg Med Chem Lett 11: 733-6 (2001)


BindingDB Entry DOI: 10.7270/Q2M32V0B
More data for this
Ligand-Target Pair