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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor IX' and Ligand = 'BDBM50240484'   
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))
BDBM50240484
PNG
(CHEMBL4085322 | US9969724, Example 1)
Show SMILES Nc1noc2c(cccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C20H18ClN7O2/c21-16-8-13(28-10-23-24-11-28)4-5-14(16)20(29)25-12-6-7-27(9-12)17-3-1-2-15-18(17)30-26-19(15)22/h1-5,8,10-12H,6-7,9H2,(H2,22,26)(H,25,29)
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Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin at pH 7.4


Bioorg Med Chem Lett 27: 2622-2628 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.002
BindingDB Entry DOI: 10.7270/Q28054RH
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM50240484
PNG
(CHEMBL4085322 | US9969724, Example 1)
Show SMILES Nc1noc2c(cccc12)N1CCC(C1)NC(=O)c1ccc(cc1Cl)-n1cnnc1
Show InChI InChI=1S/C20H18ClN7O2/c21-16-8-13(28-10-23-24-11-28)4-5-14(16)20(29)25-12-6-7-27(9-12)17-3-1-2-15-18(17)30-26-19(15)22/h1-5,8,10-12H,6-7,9H2,(H2,22,26)(H,25,29)
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PC sid
UniChem

Patents


Similars

US Patent
n/an/a<100n/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...


J Med Chem 52: 2818-24 (2009)


BindingDB Entry DOI: 10.7270/Q2WQ063R
More data for this
Ligand-Target Pair