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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404519'   
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


(Bos taurus (Bovine))		BDBM50404519
PNG
(CHEMBL349867)
Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H22N4O4S/c1-25-16(22)15(7-4-10-20-17(18)19)21-26(23,24)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,15,21H,4,7,10H2,1H3,(H4,18,19,20)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin

J Med Chem 23: 827-30 (1980)


BindingDB Entry DOI: 10.7270/Q2KH0PH2
More data for this
Ligand-Target Pair