BDBM50269603 CHEMBL502059::cyclotheonamide E5

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])c(-[#8])c2)-[#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]

InChI Key: InChIKey=GPMPQICWVQKULK-TUTRKGMZSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269603   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50269603 (CHEMBL502059 | cyclotheonamide E5) 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])c(-[#8])c2)-[#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/C41H62N10O10/c1-6-22(3)18-33(55)46-24(5)36(57)49-28-21-45-32(54)15-13-26(19-25-12-14-30(52)31(53)20-25)47-38(59)34(23(4)7-2)50-39(60)35(56)27(10-8-16-44-41(42)43)48-37(58)29-11-9-17-51(29)40(28)61/h12-15,20,22-24,26-29,34,52-53H,6-11,16-19,21H2,1-5H3,(H,45,54)(H,46,55)(H,47,59)(H,48,58)(H,49,57)(H,50,60)(H4,42,43,44)/b15-13+/t22?,23-,24+,26-,27+,28+,29+,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67.9	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