BDBM50371714 CHEMBL256588::KNI-10502

SMILES: CCCNC(=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=HUULQLDPPPQAQH-WQJLBJJOSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50371714   

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 ...)	BDBM50371714 (CHEMBL256588 | KNI-10502) Show SMILES CCCNC(=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:6.5| Show InChI InChI=1S/C35H49N5O6S/c1-8-19-36-32(45)29-35(6,7)47-21-40(29)33(46)27(42)25(20-23-15-11-9-12-16-23)38-31(44)28(34(3,4)5)39-30(43)26(37-22(2)41)24-17-13-10-14-18-24/h9-18,25-29,42H,8,19-21H2,1-7H3,(H,36,45)(H,37,41)(H,38,44)(H,39,43)/t25-,26-,27-,28+,29?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	193	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
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