Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50269602'   

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))	BDBM50269602 (CHEMBL448961 | cyclotheonamide E4) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-[#6@H](-[#6])-[#6]-[#6] |r,t:18| Show InChI InChI=1S/C41H62N10O9/c1-6-23(3)20-33(54)46-25(5)36(56)49-30-22-45-32(53)17-14-27(21-26-12-15-28(52)16-13-26)47-38(58)34(24(4)7-2)50-39(59)35(55)29(10-8-18-44-41(42)43)48-37(57)31-11-9-19-51(31)40(30)60/h12-17,23-25,27,29-31,34,52H,6-11,18-22H2,1-5H3,(H,45,53)(H,46,54)(H,47,58)(H,48,57)(H,49,56)(H,50,59)(H4,42,43,44)/b17-14+/t23?,24-,25+,27-,29+,30+,31+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Kirin Brewery Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Nat Prod 65: 259-61 (2002) BindingDB Entry DOI: 10.7270/Q2V40TZ7
					More data for this Ligand-Target Pair