BDBM50371707 CHEMBL272710::KNI-10221

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(=O)N[C@@H](CCC(N)=O)C(N)=O

InChI Key: InChIKey=NKUPZVDSSLCOPP-RBYPWZAZSA-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 = 50371707   

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 ...)	BDBM50371707 (CHEMBL272710 | KNI-10221) 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(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C43H62N8O9S/c1-9-24(2)31(37(56)47-28(36(45)55)20-21-30(44)53)49-40(59)35-43(7,8)61-23-51(35)41(60)33(54)29(22-26-16-12-10-13-17-26)48-39(58)34(42(4,5)6)50-38(57)32(46-25(3)52)27-18-14-11-15-19-27/h10-19,24,28-29,31-35,54H,9,20-23H2,1-8H3,(H2,44,53)(H2,45,55)(H,46,52)(H,47,56)(H,48,58)(H,49,59)(H,50,57)/t24-,28-,29-,31-,32-,33-,34+,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	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