BDBM50037831 (2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid ((1R,2R)-1-benzyl-3-benzylcarbamoyl-2-hydroxy-propyl)-amide::CHEMBL334057

SMILES: CC1(C)S[C@@H](N[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCc1ccccc1)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=RNBNABRBLMLESP-UOLJKGQGSA-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 = 50037831   

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)	BDBM50037831 ((2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)...) Show SMILES CC1(C)S[C@@H](N[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCc1ccccc1)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C41H47N5O5S/c1-41(2)37(39(51)44-32(23-28-15-7-3-8-16-28)33(47)25-34(48)42-26-30-19-11-5-12-20-30)46-40(52-41)36(38(50)43-27-31-21-13-6-14-22-31)45-35(49)24-29-17-9-4-10-18-29/h3-22,32-33,36-37,40,46-47H,23-27H2,1-2H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)/t32-,33-,36?,37+,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+3	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