BDBM50090146 (S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-methanesulfonyl-piperazine-2-carboxylic acid tert-butylamide::CHEMBL432101

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)S(C)(=O)=O

InChI Key: InChIKey=FRSDMEGKPBJXDX-GMKPQLIGSA-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 = 50090146   

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)	BDBM50090146 ((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)S(C)(=O)=O Show InChI InChI=1S/C31H44N4O6S/c1-31(2,3)33-30(39)26-20-35(42(4,40)41)15-14-34(26)19-24(36)17-23(16-21-10-6-5-7-11-21)29(38)32-28-25-13-9-8-12-22(25)18-27(28)37/h5-13,23-24,26-28,36-37H,14-20H2,1-4H3,(H,32,38)(H,33,39)/t23-,24+,26+,27-,28+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound to prevent cleavage of a substrate by the protease enzyme				Bioorg Med Chem Lett 10: 1527-30 (2000) BindingDB Entry DOI: 10.7270/Q2542MTH
					More data for this Ligand-Target Pair