BDBM50037830 (2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid [3-((R)-4-tert-butylcarbamoyl-thiazolidin-3-yl)-2-hydroxy-propyl]-amide::CHEMBL331645

SMILES: CC(C)(C)NC(=O)[C@@H]1CSCN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=LGOIPFJTVRLGQS-LAEBXMRJSA-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 = 50037830   

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)	BDBM50037830 ((2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CSCN1CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H48N6O5S2/c1-33(2,3)39-29(43)25-20-46-21-40(25)19-24(41)18-36-31(45)28-34(4,5)47-32(38-28)27(30(44)35-17-23-14-10-7-11-15-23)37-26(42)16-22-12-8-6-9-13-22/h6-15,24-25,27-28,32,38,41H,16-21H2,1-5H3,(H,35,44)(H,36,45)(H,37,42)(H,39,43)/t24?,25-,27?,28-,32+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Limited Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV proteinase				J Med Chem 37: 3707-16 (1994) BindingDB Entry DOI: 10.7270/Q2V40T88
					More data for this Ligand-Target Pair