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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin and coagulation factor X' and Ligand = 'BDBM50107475'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50107475
PNG
(CHEMBL148391 | {(R)-1-Benzyl-2-[(S)-2-(4-guanidino...)
Show SMILES NC(=N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H36N6O4/c28-26(29)31-16-8-7-15-30-24(34)23-14-9-17-33(23)25(35)22(18-20-10-3-1-4-11-20)32-27(36)37-19-21-12-5-2-6-13-21/h1-6,10-13,22-23H,7-9,14-19H2,(H,30,34)(H,32,36)(H4,28,29,31)/t22-,23+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 670n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against hydrolysis of human alpha thrombin


Bioorg Med Chem Lett 12: 45-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GX4C3P
More data for this
Ligand-Target Pair