Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 723.9 BDBM50478918

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)	BDBM50478918 (CHEMBL502067 | KNI-10671) Show SMILES CCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCCC(C)C)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C39H57N5O6S/c1-9-16-29(45)42-30(27-19-14-11-15-20-27)34(47)43-32(38(4,5)6)35(48)41-28(23-26-17-12-10-13-18-26)31(46)37(50)44-24-51-39(7,8)33(44)36(49)40-22-21-25(2)3/h10-15,17-20,25,28,30-33,46H,9,16,21-24H2,1-8H3,(H,40,49)(H,41,48)(H,42,45)(H,43,47)/t28-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	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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