Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 737.9 BDBM50478908

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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
Protease (Human T-cell leukemia virus type I)	BDBM50478908 (CHEMBL509838 | KNI-10672) Show SMILES CC(C)CCNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C40H59N5O6S/c1-25(2)20-21-41-37(50)34-40(8,9)52-24-45(34)38(51)32(47)29(23-27-16-12-10-13-17-27)42-36(49)33(39(5,6)7)44-35(48)31(28-18-14-11-15-19-28)43-30(46)22-26(3)4/h10-19,25-26,29,31-34,47H,20-24H2,1-9H3,(H,41,50)(H,42,49)(H,43,46)(H,44,48)/t29-,31-,32-,33+,34+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HTLV1 protease L40I mutant				Bioorg Med Chem 16: 6880-90 (2008) Article DOI: 10.1016/j.bmc.2008.05.052 BindingDB Entry DOI: 10.7270/Q25B059Q
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