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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50073319   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50073319
PNG
((S)-1-(9-Hydroxy-9H-fluorene-9-carbonyl)-pyrrolidi...)
Show SMILES NC(=N)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C23H25N5O4/c24-22(25)27-19(29)11-12-26-20(30)18-10-5-13-28(18)21(31)23(32)16-8-3-1-6-14(16)15-7-2-4-9-17(15)23/h1-4,6-9,18,32H,5,10-13H2,(H,26,30)(H4,24,25,27,29)/t18-/m0/s1
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Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



NV Organon Scientific Development Group

Curated by ChEMBL


Assay Description
Inhibition of thrombin (IIa)


Bioorg Med Chem Lett 8: 3603-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00650-7
BindingDB Entry DOI: 10.7270/Q20P0Z5B
More data for this
Ligand-Target Pair