Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50149029'   

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))	BDBM50149029 (CHEMBL331769 | Oxyguanidine derivative) Show SMILES COCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C20H28N4O5/c1-15-10-17(12-18(11-15)28-6-3-7-29-23-20(21)22)19(25)24(5-9-26-2)13-16-4-8-27-14-16/h4,8,10-12,14H,3,5-7,9,13H2,1-2H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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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