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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50324745'   
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


(Oryctolagus cuniculus)
BDBM50324745
PNG
((3R,4R)-methyl 3-(5-chloropyridin-2-ylcarbamoyl)-4...)
Show SMILES COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H21ClFN5O5/c1-36-24(35)30-12-16(17(13-30)23(34)29-20-8-5-14(25)11-27-20)22(33)28-19-7-6-15(10-18(19)26)31-9-3-2-4-21(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,27,29,34)/t16-,17-/m0/s1
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17n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rabbit factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324745
PNG
((3R,4R)-methyl 3-(5-chloropyridin-2-ylcarbamoyl)-4...)
Show SMILES COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H21ClFN5O5/c1-36-24(35)30-12-16(17(13-30)23(34)29-20-8-5-14(25)11-27-20)22(33)28-19-7-6-15(10-18(19)26)31-9-3-2-4-21(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,27,29,34)/t16-,17-/m0/s1
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27n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324745
PNG
((3R,4R)-methyl 3-(5-chloropyridin-2-ylcarbamoyl)-4...)
Show SMILES COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H21ClFN5O5/c1-36-24(35)30-12-16(17(13-30)23(34)29-20-8-5-14(25)11-27-20)22(33)28-19-7-6-15(10-18(19)26)31-9-3-2-4-21(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,27,29,34)/t16-,17-/m0/s1
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Article
PubMed
27n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair