BDBM50037820 (2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid {3-[((S)-1-tert-butylcarbamoyl-ethyl)-cyclohexylmethyl-amino]-2-hydroxy-propyl}-amide::CHEMBL331741

SMILES: C[C@H](N(CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)CC1CCCCC1)C(=O)NC(C)(C)C

InChI Key: InChIKey=XOXKFPJWQWPNIN-NMYCFRSPSA-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 = 50037820   

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)	BDBM50037820 ((2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)...) Show SMILES C[C@H](N(CC(O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1)CC1CCCCC1)C(=O)NC(C)(C)C Show InChI InChI=1S/C40H60N6O5S/c1-27(35(49)45-39(2,3)4)46(25-30-20-14-9-15-21-30)26-31(47)24-42-37(51)34-40(5,6)52-38(44-34)33(36(50)41-23-29-18-12-8-13-19-29)43-32(48)22-28-16-10-7-11-17-28/h7-8,10-13,16-19,27,30-31,33-34,38,44,47H,9,14-15,20-26H2,1-6H3,(H,41,50)(H,42,51)(H,43,48)(H,45,49)/t27-,31?,33?,34-,38+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+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
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