BDBM50371724 CHEMBL272920::KNI-10194

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

InChI Key: InChIKey=ROPROKZBNNSBKA-UVHCWFIHSA-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 = 50371724   

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 ...)	BDBM50371724 (CHEMBL272920 | KNI-10194) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](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)C(C)(C)C Show InChI InChI=1S/C41H67N7O8S2/c1-12-23(3)29(43-25(5)49)36(53)47-32(40(6,7)8)37(54)45-28(21-26-17-15-14-16-18-26)31(50)39(56)48-22-58-41(9,10)33(48)38(55)46-30(24(4)13-2)35(52)44-27(34(42)51)19-20-57-11/h14-18,23-24,27-33,50H,12-13,19-22H2,1-11H3,(H2,42,51)(H,43,49)(H,44,52)(H,45,54)(H,46,55)(H,47,53)/t23-,24-,27-,28-,29-,30-,31-,32+,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	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