BDBM50483091 CHEMBL1276086

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)S(C)(=O)=O)S(=O)(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=GHXLKBYGQUFVHA-DURBRWELSA-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 = 50483091   

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))	BDBM50483091 (CHEMBL1276086) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)S(C)(=O)=O)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C32H37N3O10S2/c1-21(2)17-34(47(41,42)25-12-13-28-29(16-25)44-20-43-28)18-27(36)26(14-22-8-5-4-6-9-22)33-31(37)30-19-35(32(38)45-30)23-10-7-11-24(15-23)46(3,39)40/h4-13,15-16,21,26-27,30,36H,14,17-20H2,1-3H3,(H,33,37)/t26-,27+,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease by FRET				J Med Chem 53: 7699-708 (2010) Article DOI: 10.1021/jm1008743 BindingDB Entry DOI: 10.7270/Q2BZ68WM
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