Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50149014'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50149014 (CHEMBL121817 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CCCCC1)Cc1ccoc1 Show InChI InChI=1S/C24H34N4O4/c1-18-12-21(14-22(13-18)31-9-5-10-32-27-24(25)26)23(29)28(16-20-8-11-30-17-20)15-19-6-3-2-4-7-19/h8,11-14,17,19H,2-7,9-10,15-16H2,1H3,(H4,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
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