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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50081087   
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))
BDBM50081087
PNG
(CHEMBL87947 | N-((S)-1-Carbamimidoyl-2-hydroxy-pip...)
Show SMILES COc1ccc2N(CC(=O)N[C@H]3CCCN(C3O)C(N)=N)C(=O)[C@H](CCc2c1)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H34N6O6S/c1-38-19-10-12-22-18(14-19)9-11-21(30-39(36,37)16-17-6-3-2-4-7-17)25(35)32(22)15-23(33)29-20-8-5-13-31(24(20)34)26(27)28/h2-4,6-7,10,12,14,20-21,24,30,34H,5,8-9,11,13,15-16H2,1H3,(H3,27,28)(H,29,33)/t20-,21-,24?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human enzyme thrombin


Bioorg Med Chem Lett 9: 2573-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00417-5
BindingDB Entry DOI: 10.7270/Q26M361R
More data for this
Ligand-Target Pair