BDBM50371727 CHEMBL430094::KNI-10167

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

InChI Key: InChIKey=QDUGBZOOWCOVDJ-OSIVGHHVSA-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 = 50371727   

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 ...)	BDBM50371727 (CHEMBL430094 | KNI-10167) Show SMILES CC[C@H](C)[C@H](NC(C)=O)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](CCSC)C(N)=O Show InChI InChI=1S/C35H56N6O7S2/c1-9-20(3)26(37-22(5)42)31(45)39-25(18-23-14-12-11-13-15-23)28(43)34(48)41-19-50-35(6,7)29(41)33(47)40-27(21(4)10-2)32(46)38-24(30(36)44)16-17-49-8/h11-15,20-21,24-29,43H,9-10,16-19H2,1-8H3,(H2,36,44)(H,37,42)(H,38,46)(H,39,45)(H,40,47)/t20-,21-,24-,25-,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	>1.00E+3	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