BDBM50290524 CHEMBL404933::[(R)-1-((S)-1-{(2R,3S)-3-[2-(Benzoyl-isopropyl-sulfamoyl)-ethyl]-oxiranyl}-2-phenyl-ethylcarbamoyl)-2-methanesulfonyl-2-methyl-propyl]-carbamic acid benzyl ester

SMILES: CC(C)N(C(=O)c1ccccc1)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O

InChI Key: InChIKey=CAOKNTKYVAQYJS-GASGPIRDSA-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 = 50290524   

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)	BDBM50290524 (CHEMBL404933 | [(R)-1-((S)-1-{(2R,3S)-3-[2-(Benzoy...) Show SMILES CC(C)N(C(=O)c1ccccc1)S(=O)(=O)CC[C@@H]1O[C@@H]1[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O Show InChI InChI=1S/C36H45N3O9S2/c1-25(2)39(34(41)28-19-13-8-14-20-28)50(45,46)22-21-30-31(48-30)29(23-26-15-9-6-10-16-26)37-33(40)32(36(3,4)49(5,43)44)38-35(42)47-24-27-17-11-7-12-18-27/h6-20,25,29-32H,21-24H2,1-5H3,(H,37,40)(H,38,42)/t29-,30-,31+,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 2635-2638 (1997) Article DOI: 10.1016/S0960-894X(97)10054-3 BindingDB Entry DOI: 10.7270/Q2G44Q84
					More data for this Ligand-Target Pair