BDBM843 Benzocycloalkyl Amines deriv. 13::tert-butyl N-[(2S,3S,5R)-5-{[(1S,2R,3R)-3-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-benzyl-3-hydroxy-1-phenylpentan-2-yl]carbamate

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)[C@H](N)c2ccccc12

InChI Key: InChIKey=MRLZHJSWDCUIEE-IAPQBRSKSA-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 = 843   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM843 (Benzocycloalkyl Amines deriv. 13 | tert-butyl N-[(...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)[C@H](N)c2ccccc12 |r| Show InChI InChI=1S/C33H41N3O5/c1-33(2,3)41-32(40)35-26(19-22-14-8-5-9-15-22)27(37)20-23(18-21-12-6-4-7-13-21)31(39)36-29-25-17-11-10-16-24(25)28(34)30(29)38/h4-17,23,26-30,37-38H,18-20,34H2,1-3H3,(H,35,40)(H,36,39)/t23-,26+,27+,28-,29+,30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1228-30 (1991) Article DOI: 10.1021/jm00107a051 BindingDB Entry DOI: 10.7270/Q2XS5SKZ
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