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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 = 'BDBM50358256'   
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))
BDBM50358256
PNG
(CHEMBL168946)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H20N2O4/c1-27-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(28-2)14-10-16/h3-14H,1-2H3,(H,23,25)(H,24,26)
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PC cid
PC sid
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114035
BindingDB Entry DOI: 10.7270/Q2Q52TMM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358256
PNG
(CHEMBL168946)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H20N2O4/c1-27-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(28-2)14-10-16/h3-14H,1-2H3,(H,23,25)(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.22E+3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair