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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50197324   
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))
BDBM50197324
PNG
(4-({[(1S)-(aminocarbonyl)-3-methylbutyl]amino}-car...)
Show SMILES CNc1ccc(c(c1)C(=O)Nc1ccc(CN)cc1)-c1ccc(cc1C(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C29H33N5O5/c1-16(2)12-25(26(31)35)34-27(36)18-6-10-22(24(13-18)29(38)39)21-11-9-20(32-3)14-23(21)28(37)33-19-7-4-17(15-30)5-8-19/h4-11,13-14,16,25,32H,12,15,30H2,1-3H3,(H2,31,35)(H,33,37)(H,34,36)(H,38,39)/t25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair