null

SMILES: CC1(C)S[C@@H](N[C@H]1C(=O)NC[C@@H](O)[C@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=XZYSPYVNXHJCFN-QVQHGWELSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281568   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50281568 (1N-benzyl-2-[4-[4-[2-benzylcarbamoyl(benzylcarboxa...) Show SMILES CC1(C)S[C@@H](N[C@H]1C(=O)NC[C@@H](O)[C@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C50H62N8O8S2/c1-49(2)41(57-47(67-49)39(43(63)51-27-33-21-13-7-14-22-33)55-37(61)25-31-17-9-5-10-18-31)45(65)53-29-35(59)36(60)30-54-46(66)42-50(3,4)68-48(58-42)40(44(64)52-28-34-23-15-8-16-24-34)56-38(62)26-32-19-11-6-12-20-32/h5-24,35-36,39-42,47-48,57-60H,25-30H2,1-4H3,(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,61)(H,56,62)/t35-,36-,39-,40-,41+,42+,47-,48-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested in vitro for its inhibitory activity against HIV-1 Proteinase activity				Bioorg Med Chem Lett 3: 503-508 (1993) Article DOI: 10.1016/S0960-894X(01)81216-6 BindingDB Entry DOI: 10.7270/Q2GH9HXV
					More data for this Ligand-Target Pair