BDBM50070299 4N-[3-(1-{2-ethyl-4-hydroxy-2-[3-(1-methyl-1H-4-imidazolylsulfonamido)phenyl]-6-oxo-3,6-dihydro-2H-5-pyranyl}propyl)phenyl]-1-methyl-1H-4-imidazolesulfonamide::CHEMBL20565

SMILES: CCC(C1C(=O)CC(CC)(OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1

InChI Key: InChIKey=VLFIXRQVVLLVMC-UHFFFAOYSA-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 = 50070299   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50070299 (4N-[3-(1-{2-ethyl-4-hydroxy-2-[3-(1-methyl-1H-4-im...) Show SMILES CCC(C1C(=O)CC(CC)(OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C30H34N6O7S2/c1-5-24(20-9-7-11-22(13-20)33-44(39,40)26-16-35(3)18-31-26)28-25(37)15-30(6-2,43-29(28)38)21-10-8-12-23(14-21)34-45(41,42)27-17-36(4)19-32-27/h7-14,16-19,24,28,33-34H,5-6,15H2,1-4H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) Protease				Bioorg Med Chem Lett 8: 1237-42 (1999) BindingDB Entry DOI: 10.7270/Q2K64H7T
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