BDBM50481032 CHEMBL569569

SMILES: CC(C)[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(C)C

InChI Key: InChIKey=ZEWWGGNGWOKSDF-NXCWDDMZSA-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 = 50481032   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481032 (CHEMBL569569) Show SMILES CC(C)[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C50H62N4O10/c1-31(2)43(53-47(61)37(29-41(55)56)25-33-17-9-5-10-18-33)49(63)51-39(27-35-21-13-7-14-22-35)45(59)46(60)40(28-36-23-15-8-16-24-36)52-50(64)44(32(3)4)54-48(62)38(30-42(57)58)26-34-19-11-6-12-20-34/h5-24,31-32,37-40,43-46,59-60H,25-30H2,1-4H3,(H,51,63)(H,52,64)(H,53,61)(H,54,62)(H,55,56)(H,57,58)/t37-,38-,39+,40+,43+,44+,45-,46-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
					More data for this Ligand-Target Pair