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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50084084'   
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))		BDBM50084084
PNG
(3-Trifluoromethyl-benzenesulfonic acid 3-(1-carbam...)
Show SMILES Cc1cc(OCC2CCN(CC2)C(N)=N)cc(OS(=O)(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H24F3N3O4S/c1-14-9-17(30-13-15-5-7-27(8-6-15)20(25)26)12-18(10-14)31-32(28,29)19-4-2-3-16(11-19)21(22,23)24/h2-4,9-12,15H,5-8,13H2,1H3,(H3,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 445n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceutical, Inc.

Curated by ChEMBL


Assay Description
Anti- Thrombin activity using standard chromogenic assay

Bioorg Med Chem Lett 10: 79-82 (2000)


BindingDB Entry DOI: 10.7270/Q2GH9H6F
More data for this
Ligand-Target Pair