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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM50142089'   
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))
BDBM50142089
PNG
(3'-Carbamimidoyl-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES NC(=N)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H19Cl2N5O2/c27-19-8-10-22(21(13-19)26(35)33-23-11-9-20(28)14-31-23)32-25(34)16-6-4-15(5-7-16)17-2-1-3-18(12-17)24(29)30/h1-14H,(H3,29,30)(H,32,34)(H,31,33,35)
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PC cid
PC sid
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Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50142089
PNG
(3'-Carbamimidoyl-biphenyl-4-carboxylic acid [4-chl...)
Show SMILES NC(=N)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C26H19Cl2N5O2/c27-19-8-10-22(21(13-19)26(35)33-23-11-9-20(28)14-31-23)32-25(34)16-6-4-15(5-7-16)17-2-1-3-18(12-17)24(29)30/h1-14H,(H3,29,30)(H,32,34)(H,31,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 14: 983-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.079
BindingDB Entry DOI: 10.7270/Q21V5DF7
More data for this
Ligand-Target Pair