Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50087538'   

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))	BDBM50087538 ((4S,5S)-3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl...) Show SMILES COC[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-14-20-22(23(30-35-20)16-5-4-6-17(13-16)24(26)27)25(31)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,32)33/h2-13,20,22H,14H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
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