BDBM50286709 3-Amino-2-bromo-N-[(1R,2R)-3-(2-tert-butylcarbamoyl-phenyl)-2-hydroxy-1-(naphthalen-2-ylsulfanylmethyl)-propyl]-benzamide::AG-1246::CHEMBL351819

SMILES: CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc(N)c1Br

InChI Key: InChIKey=VTKNFIAOVVDRFB-WUFINQPMSA-N

Data: 1 KI

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 = 50286709   

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)	BDBM50286709 (3-Amino-2-bromo-N-[(1R,2R)-3-(2-tert-butylcarbamoy...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc(N)c1Br Show InChI InChI=1S/C32H34BrN3O3S/c1-32(2,3)36-31(39)24-12-7-6-11-22(24)18-28(37)27(35-30(38)25-13-8-14-26(34)29(25)33)19-40-23-16-15-20-9-4-5-10-21(20)17-23/h4-17,27-28,37H,18-19,34H2,1-3H3,(H,35,38)(H,36,39)/t27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity HIV-1 protease enzyme				Bioorg Med Chem Lett 5: 727-732 (1995) Article DOI: 10.1016/0960-894X(95)00103-Z BindingDB Entry DOI: 10.7270/Q29S1R0T
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