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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM26350'   
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))
BDBM26350
PNG
((S)-1-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)aze...)
Show SMILES Cc1cccc(NC(=S)N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1 |r|
Show InChI InChI=1S/C20H28N4O2S/c1-15-7-6-8-16(13-15)21-20(27)22-17-9-2-3-12-24(19(17)26)14-18(25)23-10-4-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H2,21,22,27)/t17-/m0/s1
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Article
PubMed
n/an/a 110n/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...


J Med Chem 51: 7541-51 (2008)


Article DOI: 10.1021/jm800855x
BindingDB Entry DOI: 10.7270/Q2V12332
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM26350
PNG
((S)-1-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)aze...)
Show SMILES Cc1cccc(NC(=S)N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1 |r|
Show InChI InChI=1S/C20H28N4O2S/c1-15-7-6-8-16(13-15)21-20(27)22-17-9-2-3-12-24(19(17)26)14-18(25)23-10-4-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H2,21,22,27)/t17-/m0/s1
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Article
PubMed
n/an/a 110n/an/an/an/a7.422



Bristol-Myers Squibb Company



Assay Description
Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence o...


Bioorg Med Chem Lett 19: 6882-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.084
BindingDB Entry DOI: 10.7270/Q2Z899R2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM26350
PNG
((S)-1-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)aze...)
Show SMILES Cc1cccc(NC(=S)N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1 |r|
Show InChI InChI=1S/C20H28N4O2S/c1-15-7-6-8-16(13-15)21-20(27)22-17-9-2-3-12-24(19(17)26)14-18(25)23-10-4-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H2,21,22,27)/t17-/m0/s1
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM26350
PNG
((S)-1-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)aze...)
Show SMILES Cc1cccc(NC(=S)N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1 |r|
Show InChI InChI=1S/C20H28N4O2S/c1-15-7-6-8-16(13-15)21-20(27)22-17-9-2-3-12-24(19(17)26)14-18(25)23-10-4-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H2,21,22,27)/t17-/m0/s1
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a-mediated cleavage of synthetic substrate S-2222


Bioorg Med Chem Lett 19: 4034-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.014
BindingDB Entry DOI: 10.7270/Q2TQ61KM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM26350
PNG
((S)-1-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)aze...)
Show SMILES Cc1cccc(NC(=S)N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1 |r|
Show InChI InChI=1S/C20H28N4O2S/c1-15-7-6-8-16(13-15)21-20(27)22-17-9-2-3-12-24(19(17)26)14-18(25)23-10-4-5-11-23/h6-8,13,17H,2-5,9-12,14H2,1H3,(H2,21,22,27)/t17-/m0/s1
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human FXa


Bioorg Med Chem Lett 15: 5453-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.107
BindingDB Entry DOI: 10.7270/Q2KH0MW5
More data for this
Ligand-Target Pair