BDBM50073256 CHEMBL122006::[2-((1S,2S,4S)-1-Benzyl-4-tert-butoxycarbonylamino-2-hydroxy-5-phenyl-pentylcarbamoyl)-phenyl]-carbamic acid pyridin-2-ylmethyl ester

SMILES: CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)Cc1ccccc1

InChI Key: InChIKey=AYJMRCUOSGDJMG-LENAEUCASA-N

Data: 1 KI

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 = 50073256   

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)	BDBM50073256 (CHEMBL122006 | [2-((1S,2S,4S)-1-Benzyl-4-tert-buto...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)Cc1ccccc1 Show InChI InChI=1S/C37H42N4O6/c1-37(2,3)47-36(45)39-29(22-26-14-6-4-7-15-26)24-33(42)32(23-27-16-8-5-9-17-27)40-34(43)30-19-10-11-20-31(30)41-35(44)46-25-28-18-12-13-21-38-28/h4-21,29,32-33,42H,22-25H2,1-3H3,(H,39,45)(H,40,43)(H,41,44)/t29-,32-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AIDS Drug Screening and Development Laboratory, SA Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				Bioorg Med Chem Lett 8: 3537-42 (1999) BindingDB Entry DOI: 10.7270/Q2HM57MB
					More data for this Ligand-Target Pair