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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50404617'   
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))		BDBM50404617
PNG
(CHEMBL354511)
Show SMILES CCCCN(C)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H31N5O3S/c1-3-4-15-26(2)20(27)18(12-8-14-24-21(22)23)25-30(28,29)19-13-7-10-16-9-5-6-11-17(16)19/h5-7,9-11,13,18,25H,3-4,8,12,14-15H2,1-2H3,(H4,22,23,24)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.00E+9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bovine thrombin concentration at which clotting time was prolonged 2x over the control.

J Med Chem 23: 830-6 (1980)


BindingDB Entry DOI: 10.7270/Q2FQ9XT7
More data for this
Ligand-Target Pair