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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50101012   
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))
BDBM50101012
PNG
(CHEMBL289918 | {4-[(4-Aminomethyl-piperidine-1-car...)
Show SMILES NCC1CCN(CC1)C(=O)NCCCCNC(=O)OCc1ccc(COC(=O)NCCCCNC(=O)N2CCC(CN)CC2)cc1
Show InChI InChI=1S/C32H54N8O6/c33-21-25-9-17-39(18-10-25)29(41)35-13-1-3-15-37-31(43)45-23-27-5-7-28(8-6-27)24-46-32(44)38-16-4-2-14-36-30(42)40-19-11-26(22-34)12-20-40/h5-8,25-26H,1-4,9-24,33-34H2,(H,35,41)(H,36,42)(H,37,43)(H,38,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells


Bioorg Med Chem Lett 11: 1629-33 (2001)


Article DOI: 10.1016/s0960-894x(01)00254-2
BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair