BDBM50371719 CHEMBL256385::KNI-10191

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(N)=O

InChI Key: InChIKey=VZZVMZFCHSEJAH-AOWMZWOKSA-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 = 50371719   

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 ...)	BDBM50371719 (CHEMBL256385 | KNI-10191) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C41H66N8O9S/c1-10-22(4)30(44-25(7)50)38(56)47-31(23(5)11-2)37(55)46-28(20-26-16-14-13-15-17-26)33(52)40(58)49-21-59-41(8,9)34(49)39(57)48-32(24(6)12-3)36(54)45-27(35(43)53)18-19-29(42)51/h13-17,22-24,27-28,30-34,52H,10-12,18-21H2,1-9H3,(H2,42,51)(H2,43,53)(H,44,50)(H,45,54)(H,46,55)(H,47,56)(H,48,57)/t22-,23-,24-,27-,28-,30-,31-,32-,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	159	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