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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 = 'BDBM50124990'   
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))
BDBM50124990
PNG
(CHEMBL355376 | N-[4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc2cccnc12)C(=O)c1nccs1
Show InChI InChI=1S/C24H28N8O5S2/c25-24(26)29-9-3-6-17(22(35)23-28-10-13-38-23)30-19(33)14-31-11-12-32(15-20(31)34)39(36,37)18-7-1-4-16-5-2-8-27-21(16)18/h1-2,4-5,7-8,10,13,17H,3,6,9,11-12,14-15H2,(H,30,33)(H4,25,26,29)
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4.40n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 723-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z037JH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50124990
PNG
(CHEMBL355376 | N-[4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc2cccnc12)C(=O)c1nccs1
Show InChI InChI=1S/C24H28N8O5S2/c25-24(26)29-9-3-6-17(22(35)23-28-10-13-38-23)30-19(33)14-31-11-12-32(15-20(31)34)39(36,37)18-7-1-4-16-5-2-8-27-21(16)18/h1-2,4-5,7-8,10,13,17H,3,6,9,11-12,14-15H2,(H,30,33)(H4,25,26,29)
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n/an/a 2n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against factor Xa


Bioorg Med Chem Lett 13: 723-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z037JH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50124990
PNG
(CHEMBL355376 | N-[4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc2cccnc12)C(=O)c1nccs1
Show InChI InChI=1S/C24H28N8O5S2/c25-24(26)29-9-3-6-17(22(35)23-28-10-13-38-23)30-19(33)14-31-11-12-32(15-20(31)34)39(36,37)18-7-1-4-16-5-2-8-27-21(16)18/h1-2,4-5,7-8,10,13,17H,3,6,9,11-12,14-15H2,(H,30,33)(H4,25,26,29)
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n/an/an/an/an/a 0.107n/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 723-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z037JH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50124990
PNG
(CHEMBL355376 | N-[4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc2cccnc12)C(=O)c1nccs1
Show InChI InChI=1S/C24H28N8O5S2/c25-24(26)29-9-3-6-17(22(35)23-28-10-13-38-23)30-19(33)14-31-11-12-32(15-20(31)34)39(36,37)18-7-1-4-16-5-2-8-27-21(16)18/h1-2,4-5,7-8,10,13,17H,3,6,9,11-12,14-15H2,(H,30,33)(H4,25,26,29)
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n/an/an/an/an/an/a 0.00000300n/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards factor Xa


Bioorg Med Chem Lett 13: 723-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z037JH
More data for this
Ligand-Target Pair