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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50072441'   
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)
BDBM50072441
PNG
(CHEMBL323060 | CHEMBL92988 | [3-(3-Carbamimidoyl-p...)
Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)C(N)=N |c:7|
Show InChI InChI=1S/C21H22N6O4/c1-30-17(28)11-21(20(29)26-15-7-5-12(6-8-15)18(22)23)10-16(27-31-21)13-3-2-4-14(9-13)19(24)25/h2-9H,10-11H2,1H3,(H3,22,23)(H3,24,25)(H,26,29)
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94n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor Xa enzyme.


Bioorg Med Chem Lett 8: 3143-8 (1999)


BindingDB Entry DOI: 10.7270/Q2X0666F
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50072441
PNG
(CHEMBL323060 | CHEMBL92988 | [3-(3-Carbamimidoyl-p...)
Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)C(N)=N |c:7|
Show InChI InChI=1S/C21H22N6O4/c1-30-17(28)11-21(20(29)26-15-7-5-12(6-8-15)18(22)23)10-16(27-31-21)13-3-2-4-14(9-13)19(24)25/h2-9H,10-11H2,1H3,(H3,22,23)(H3,24,25)(H,26,29)
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94n/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))
BDBM50072441
PNG
(CHEMBL323060 | CHEMBL92988 | [3-(3-Carbamimidoyl-p...)
Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)C(N)=N |c:7|
Show InChI InChI=1S/C21H22N6O4/c1-30-17(28)11-21(20(29)26-15-7-5-12(6-8-15)18(22)23)10-16(27-31-21)13-3-2-4-14(9-13)19(24)25/h2-9H,10-11H2,1H3,(H3,22,23)(H3,24,25)(H,26,29)
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94n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to purified human coagulation factor Xa (FXa)


J Med Chem 42: 2752-9 (1999)


Article DOI: 10.1021/jm980405i
BindingDB Entry DOI: 10.7270/Q28P616C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50072441
PNG
(CHEMBL323060 | CHEMBL92988 | [3-(3-Carbamimidoyl-p...)
Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)C(N)=N |c:7|
Show InChI InChI=1S/C21H22N6O4/c1-30-17(28)11-21(20(29)26-15-7-5-12(6-8-15)18(22)23)10-16(27-31-21)13-3-2-4-14(9-13)19(24)25/h2-9H,10-11H2,1H3,(H3,22,23)(H3,24,25)(H,26,29)
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94n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Factor Xa


Bioorg Med Chem Lett 7: 2813-2818 (1997)


Article DOI: 10.1016/S0960-894X(97)10081-6
BindingDB Entry DOI: 10.7270/Q2X63MZ6
More data for this
Ligand-Target Pair