BDBM837 Benzocycloalkyl Amines deriv. 7::tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{bicyclo[4.2.0]octa-1,3,5-trien-7-ylcarbamoyl}-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)NC1Cc2ccccc12

InChI Key: InChIKey=HPNWNQXCBHLAEF-QTRRWBPYSA-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 = 837   

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)	BDBM837 (Benzocycloalkyl Amines deriv. 7 | tert-butyl N-[(2...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1Cc2ccccc12 |r| Show InChI InChI=1S/C32H38N2O4/c1-32(2,3)38-31(37)34-28(19-23-14-8-5-9-15-23)29(35)21-25(18-22-12-6-4-7-13-22)30(36)33-27-20-24-16-10-11-17-26(24)27/h4-17,25,27-29,35H,18-21H2,1-3H3,(H,33,36)(H,34,37)/t25-,27?,28+,29+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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
					More data for this Ligand-Target Pair