BDBM50371711 CHEMBL233649::KNI-10127

SMILES: CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)C(C)C)C(N)=O

InChI Key: InChIKey=LXYGCMDJKMGFGW-BJFASDGLSA-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 = 50371711   

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 ...)	BDBM50371711 (CHEMBL233649 | KNI-10127) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(C)C)C(C)C)C(N)=O Show InChI InChI=1S/C38H60N8O9S2/c1-20(2)28(44-33(51)25(41-22(5)47)14-15-27(39)48)35(53)43-26(18-23-12-10-9-11-13-23)30(49)37(55)46-19-57-38(6,7)31(46)36(54)45-29(21(3)4)34(52)42-24(32(40)50)16-17-56-8/h9-13,20-21,24-26,28-31,49H,14-19H2,1-8H3,(H2,39,48)(H2,40,50)(H,41,47)(H,42,52)(H,43,53)(H,44,51)(H,45,54)/t24-,25-,26-,28-,29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	353	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