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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 = 'BDBM50130063'   
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))
BDBM50130063
PNG
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of coagulation factor X


Bioorg Med Chem Lett 13: 2363-7 (2003)


BindingDB Entry DOI: 10.7270/Q2RX9CMS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50130063
PNG
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50130063
PNG
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1
PDB
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KEGG

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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against coagulation factor X.


J Med Chem 46: 4043-9 (2003)


Article DOI: 10.1021/jm030130t
BindingDB Entry DOI: 10.7270/Q2BC4092
More data for this
Ligand-Target Pair