BDBM50371717 CHEMBL404836::KNI-10247

SMILES: CC[C@H](C)[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](NC(C)=O)c1ccccc1)C(C)(C)C)C(N)=O

InChI Key: InChIKey=RKSPAGPRMDSVCQ-ZKJLQNRVSA-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 = 50371717   

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 ...)	BDBM50371717 (CHEMBL404836 | KNI-10247) Show SMILES CC[C@H](C)[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](NC(C)=O)c1ccccc1)C(C)(C)C)C(N)=O Show InChI InChI=1S/C38H54N6O7S/c1-9-22(2)27(32(39)47)42-35(50)31-38(7,8)52-21-44(31)36(51)29(46)26(20-24-16-12-10-13-17-24)41-34(49)30(37(4,5)6)43-33(48)28(40-23(3)45)25-18-14-11-15-19-25/h10-19,22,26-31,46H,9,20-21H2,1-8H3,(H2,39,47)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t22-,26-,27-,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	144	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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