BDBM50005391 CHEMBL321503

SMILES: [H][C@](O)(C[C@@]([H])(CC=C)C(=O)N[C@]1([H])c2ccccc2C[C@@]1([H])O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=GRVFBUGOGFXMHS-MMXJFWRNSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005391   

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)	BDBM50005391 (CHEMBL321503) Show SMILES [H][C@](O)(C[C@@]([H])(CC=C)C(=O)N[C@]1([H])c2ccccc2C[C@@]1([H])O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C29H38N2O5/c1-5-11-21(27(34)31-26-22-15-10-9-14-20(22)17-25(26)33)18-24(32)23(16-19-12-7-6-8-13-19)30-28(35)36-29(2,3)4/h5-10,12-15,21,23-26,32-33H,1,11,16-18H2,2-4H3,(H,30,35)(H,31,34)/t21-,23+,24+,25-,26-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease.				J Med Chem 43: 3020-32 (2000) BindingDB Entry DOI: 10.7270/Q2HM59P2
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