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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 = 'BDBM50079253'   
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))
BDBM50079253
PNG
(3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...)
Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O |t:10|
Show InChI InChI=1S/C23H21N11O4S/c24-20(25)15-5-3-4-14(8-15)18-9-23(38-31-18,12-34-13-29-32-33-34)21(35)30-22-27-10-16(11-28-22)17-6-1-2-7-19(17)39(26,36)37/h1-8,10-11,13H,9,12H2,(H3,24,25)(H2,26,36,37)(H,27,28,30,35)
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PC cid
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Article
PubMed
0.320n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards human purified Coagulation factor Xa (FXa)


J Med Chem 42: 2760-73 (1999)


Article DOI: 10.1021/jm980406a
BindingDB Entry DOI: 10.7270/Q28W3CHG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50079253
PNG
(3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4...)
Show SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O |t:10|
Show InChI InChI=1S/C23H21N11O4S/c24-20(25)15-5-3-4-14(8-15)18-9-23(38-31-18,12-34-13-29-32-33-34)21(35)30-22-27-10-16(11-28-22)17-6-1-2-7-19(17)39(26,36)37/h1-8,10-11,13H,9,12H2,(H3,24,25)(H2,26,36,37)(H,27,28,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards human purified Coagulation factor Xa (FXa)


J Med Chem 42: 2760-73 (1999)


Article DOI: 10.1021/jm980406a
BindingDB Entry DOI: 10.7270/Q28W3CHG
More data for this
Ligand-Target Pair