Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50149037'   

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))	BDBM50149037 (CHEMBL125603 | Oxyguanidine derivative) Show SMILES Cc1cc(OCCCONC(N)=N)cc(c1)C(=O)N(CC1CC1)Cc1ccncc1 Show InChI InChI=1S/C22H29N5O3/c1-16-11-19(13-20(12-16)29-9-2-10-30-26-22(23)24)21(28)27(14-17-3-4-17)15-18-5-7-25-8-6-18/h5-8,11-13,17H,2-4,9-10,14-15H2,1H3,(H4,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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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