BDBM50285891 CHEMBL441065::[(1S,3S,4S)-4-(4-Amino-3-methoxy-benzoylamino)-1-benzyl-3-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester

SMILES: COc1cc(ccc1N)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=VICKYUYMQMONNP-URORMMCBSA-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 = 50285891   

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)	BDBM50285891 (CHEMBL441065 | [(1S,3S,4S)-4-(4-Amino-3-methoxy-be...) Show SMILES COc1cc(ccc1N)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H39N3O5/c1-31(2,3)39-30(37)33-24(17-21-11-7-5-8-12-21)20-27(35)26(18-22-13-9-6-10-14-22)34-29(36)23-15-16-25(32)28(19-23)38-4/h5-16,19,24,26-27,35H,17-18,20,32H2,1-4H3,(H,33,37)(H,34,36)/t24-,26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
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