BDBM50285908 CHEMBL90139::[(1S,3S,4S)-4-(3-Amino-4-hydroxy-benzoylamino)-1-benzyl-3-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(N)c1)Cc1ccccc1

InChI Key: InChIKey=HGMFPCSWXNAFOY-RMDSEJHCSA-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 = 50285908   

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)	BDBM50285908 (CHEMBL90139 | [(1S,3S,4S)-4-(3-Amino-4-hydroxy-ben...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(N)c1)Cc1ccccc1 Show InChI InChI=1S/C30H37N3O5/c1-30(2,3)38-29(37)32-23(16-20-10-6-4-7-11-20)19-27(35)25(17-21-12-8-5-9-13-21)33-28(36)22-14-15-26(34)24(31)18-22/h4-15,18,23,25,27,34-35H,16-17,19,31H2,1-3H3,(H,32,37)(H,33,36)/t23-,25-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.60	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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