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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50127493'   
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
Prothrombin


(Homo sapiens (Human))
BDBM50127493
PNG
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)
Show SMILES NC(=N)c1ccc(CCC(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C23H29N5O4/c24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30)
PDB

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antibodypedia
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.50E+6n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair