BDBM50371705 CHEMBL401718::KNI-10455

SMILES: CC(=C)CNC(=O)C1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C

InChI Key: InChIKey=FWAAPDQGDMQHAA-HFXSEVENSA-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 = 50371705   

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
Human T-cell leukemia virus type I protease (Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)	BDBM50371705 (CHEMBL401718 | KNI-10455) Show SMILES CC(=C)CNC(=O)C1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(C)(C)C |w:7.6| Show InChI InChI=1S/C36H49N5O6S/c1-22(2)20-37-33(46)30-36(7,8)48-21-41(30)34(47)28(43)26(19-24-15-11-9-12-16-24)39-32(45)29(35(4,5)6)40-31(44)27(38-23(3)42)25-17-13-10-14-18-25/h9-18,26-30,43H,1,19-21H2,2-8H3,(H,37,46)(H,38,42)(H,39,45)(H,40,44)/t26-,27-,28-,29+,30?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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 expressed in Escherichia coli BL21(DE3)pLysS				Bioorg Med Chem Lett 18: 366-70 (2008) Article DOI: 10.1016/j.bmcl.2007.10.066 BindingDB Entry DOI: 10.7270/Q2N58N78
					More data for this Ligand-Target Pair