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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 = 'BDBM50240476'   
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))
BDBM50240476
PNG
(CHEMBL4087720 | US9969724, Example 29)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ccccc12 |r|
Show InChI InChI=1S/C24H19Cl2N7O2/c25-16-9-14(33-12-29-18-3-1-2-4-19(18)33)5-6-15(16)24(34)30-13-7-8-32(11-13)23-21-20(17(26)10-28-23)22(27)31-35-21/h1-6,9-10,12-13H,7-8,11H2,(H2,27,31)(H,30,34)/t13-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Mochida Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay


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))
BDBM50240476
PNG
(CHEMBL4087720 | US9969724, Example 29)
Show SMILES Nc1noc2c(ncc(Cl)c12)N1CC[C@H](C1)NC(=O)c1ccc(cc1Cl)-n1cnc2ccccc12 |r|
Show InChI InChI=1S/C24H19Cl2N7O2/c25-16-9-14(33-12-29-18-3-1-2-4-19(18)33)5-6-15(16)24(34)30-13-7-8-32(11-13)23-21-20(17(26)10-28-23)22(27)31-35-21/h1-6,9-10,12-13H,7-8,11H2,(H2,27,31)(H,30,34)/t13-/m1/s1
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PC cid
PC sid
UniChem
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