BDBM498 (Hydroxyethyl)urea Isostere deriv. 26::benzyl N-[(1S)-1-{[(2S,3S)-4-[(butylcarbamoyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate

SMILES: CCCCNC(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1

InChI Key: InChIKey=XNLZVXPTFMKQCK-QKDODKLFSA-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 = 498   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM498 ((Hydroxyethyl)urea Isostere deriv. 26 | benzyl N-[...) Show SMILES CCCCNC(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H45N5O6/c1-4-5-16-33-30(40)36(19-22(2)3)20-27(37)25(17-23-12-8-6-9-13-23)34-29(39)26(18-28(32)38)35-31(41)42-21-24-14-10-7-11-15-24/h6-15,22,25-27,37H,4-5,16-21H2,1-3H3,(H2,32,38)(H,33,40)(H,34,39)(H,35,41)/t25-,26-,27-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	6.4	25
Monsanto Corporate Research					Assay Description IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...				J Med Chem 36: 288-91 (1993) Article DOI: 10.1021/jm00054a014 BindingDB Entry DOI: 10.7270/Q2WW7FTF
					More data for this Ligand-Target Pair