BDBM50037819 (3S,4aS,8aS)-2-[3-({(2R,4S)-2-[Ethylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carbonyl}-amino)-2-hydroxy-propyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL330980

SMILES: CCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCC(O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1

InChI Key: InChIKey=VXAILNYGQSEVPN-VNFCMBTDSA-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 = 50037819   

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)	BDBM50037819 ((3S,4aS,8aS)-2-[3-({(2R,4S)-2-[Ethylcarbamoyl-((S)...) Show SMILES CCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCC(O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 Show InChI InChI=1S/C35H56N6O5S/c1-7-36-31(45)28(38-27(43)17-22-13-9-8-10-14-22)33-39-29(35(5,6)47-33)32(46)37-19-25(42)21-41-20-24-16-12-11-15-23(24)18-26(41)30(44)40-34(2,3)4/h8-10,13-14,23-26,28-29,33,39,42H,7,11-12,15-21H2,1-6H3,(H,36,45)(H,37,46)(H,38,43)(H,40,44)/t23-,24+,25?,26-,28?,29-,33+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	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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