Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM254902'   

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))	BDBM254902 (US9493472, 24) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OC[C@@H]1CC(O)=O |r| Show InChI InChI=1S/C24H25ClFN3O6/c1-13-11-29(17(12-34-13)9-21(30)31)23(32)15-7-18-22(20(8-15)33-2)35-24(27-18)28-19(10-26)14-4-3-5-16(25)6-14/h3-8,13,17,19H,9-12H2,1-2H3,(H,27,28)(H,30,31)/t13?,17-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
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