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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50228942'   
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))
BDBM50228942
PNG
((E)-N-(1-(5-(2-tert-butylphenyl)pyridin-2-yl)-2-ox...)
Show SMILES CC(C)(C)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |w:19.21|
Show InChI InChI=1S/C25H26ClN3O3S2/c1-25(2,3)20-7-5-4-6-19(20)17-8-11-23(27-16-17)29-14-12-21(24(29)30)28-34(31,32)15-13-18-9-10-22(26)33-18/h4-11,13,15-16,21,28H,12,14H2,1-3H3/b15-13+
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PC cid
PC sid
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Similars

Article
PubMed
2.33E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00164
BindingDB Entry DOI: 10.7270/Q24X5CTC
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228942
PNG
((E)-N-(1-(5-(2-tert-butylphenyl)pyridin-2-yl)-2-ox...)
Show SMILES CC(C)(C)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O |w:19.21|
Show InChI InChI=1S/C25H26ClN3O3S2/c1-25(2,3)20-7-5-4-6-19(20)17-8-11-23(27-16-17)29-14-12-21(24(29)30)28-34(31,32)15-13-18-9-10-22(26)33-18/h4-11,13,15-16,21,28H,12,14H2,1-3H3/b15-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.33E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by chromogenic assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair