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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 = 'BDBM50084676'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50084676
PNG
((2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PEN...)
Show SMILES NC(=N)c1cccc(c1)-c1cccc(c1)[C@H](CCCNc1ccncc1)C(O)=O
Show InChI InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Coagulation factor Xa


J Med Chem 43: 3033-44 (2000)


Article DOI: 10.1021/jm000934y
BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50084676
PNG
((2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PEN...)
Show SMILES NC(=N)c1cccc(c1)-c1cccc(c1)[C@H](CCCNc1ccncc1)C(O)=O
Show InChI InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor X


J Med Chem 43: 305-41 (2000)

Checked by Author
Article DOI: 10.1021/jm990412m
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)