BDBM50037832 (3S,4aS,8aS)-2-[(S)-3-({(2R,4S)-2-[Carbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carbonyl}-amino)-2-hydroxy-propyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL121920

SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(N)=O

InChI Key: InChIKey=UOMNATPTVGYJEJ-YMGSTWQBSA-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 = 50037832   

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)	BDBM50037832 ((3S,4aS,8aS)-2-[(S)-3-({(2R,4S)-2-[Carbamoyl-((S)-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H52N6O5S/c1-32(2,3)38-29(43)24-16-21-13-9-10-14-22(21)18-39(24)19-23(40)17-35-30(44)27-33(4,5)45-31(37-27)26(28(34)42)36-25(41)15-20-11-7-6-8-12-20/h6-8,11-12,21-24,26-27,31,37,40H,9-10,13-19H2,1-5H3,(H2,34,42)(H,35,44)(H,36,41)(H,38,43)/t21-,22+,23-,24-,26?,27-,31+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	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