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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50472494   
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
Prothrombin


(Bos taurus (Bovine))
BDBM50472494
PNG
(CHEMBL1161253)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC[C@@H]2C(O)=O)c1
Show InChI InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem
Article
PubMed
260n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50472494
PNG
(CHEMBL1161253)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC[C@@H]2C(O)=O)c1
Show InChI InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23+/m0/s1
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UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.63E+13n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards Coagulation factor Xa


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50472494
PNG
(CHEMBL1161253)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC[C@@H]2C(O)=O)c1
Show InChI InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23+/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
1.00E+14n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
Binding affinity towards trypsin


J Med Chem 42: 458-77 (1999)


Article DOI: 10.1021/jm981062r
BindingDB Entry DOI: 10.7270/Q21Z474S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)