BDBM50009259 1-aminobutyloxycarbonyl-2-phenyl-(1S)-ethyl[2-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-3-methyl-(1S)-butylcarbamoyl]-3-phenyl-(2R)-propyl]phosphinic acid::CHEMBL3350608::CHEMBL75180

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

InChI Key: InChIKey=WWGGSNOTVLVDPE-YRCZKMHPSA-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 = 50009259   

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)	BDBM50009259 (1-aminobutyloxycarbonyl-2-phenyl-(1S)-ethyl[2-[1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C38H51N4O7P/c1-26(2)21-32(36(45)40-31(34(39)43)23-28-17-11-7-12-18-28)41-35(44)30(22-27-15-9-6-10-16-27)25-50(47,48)33(24-29-19-13-8-14-20-29)42-37(46)49-38(3,4)5/h6-20,26,30-33H,21-25H2,1-5H3,(H2,39,43)(H,40,45)(H,41,44)(H,42,46)(H,47,48)/t30-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for its affinity against HIV-1 protease				J Med Chem 34: 2305-14 (1991) BindingDB Entry DOI: 10.7270/Q2862H21
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