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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 = 'BDBM50142177'   
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))
BDBM50142177
PNG
(2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N
Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)
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0.600n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142177
PNG
(2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N
Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)
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PubMed
0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142177
PNG
(2-{4-[(Acetimidoyl-methyl-amino)-methyl]-benzoylam...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)C(C)=N
Show InChI InChI=1S/C23H21Cl2N5O2/c1-14(26)30(2)13-15-3-5-16(6-4-15)22(31)28-20-9-7-17(24)11-19(20)23(32)29-21-10-8-18(25)12-27-21/h3-12,26H,13H2,1-2H3,(H,28,31)(H,27,29,32)
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n/an/a 0.900n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor X.


Bioorg Med Chem Lett 14: 989-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.080
BindingDB Entry DOI: 10.7270/Q2X34WXD
More data for this
Ligand-Target Pair