Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50090246'   

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))	BDBM50090246 (3,3-Dimethyl-6-(2-ureido-ethyl)-1,2,3,4-tetrahydro...) Show SMILES CC1(C)CNc2c(C1)cc(CCNC(N)=O)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C31H41FN6O4S2/c1-31(2)18-22-15-21(8-12-34-30(33)40)16-26(28(22)35-19-31)44(41,42)37-24(17-27-36-23-5-3-4-6-25(23)43-27)29(39)38-13-9-20(7-11-32)10-14-38/h3-6,15-16,20,24,35,37H,7-14,17-19H2,1-2H3,(H3,33,34,40)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Evaluated for the binding affinity against thrombin				Bioorg Med Chem Lett 10: 1567-70 (2000) BindingDB Entry DOI: 10.7270/Q2RX9BBS
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