BDBM50408970 CHEMBL321551

SMILES: COC(=O)[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1

InChI Key: InChIKey=VAOHFAMLPUSOPR-AZWBIQCWSA-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 = 50408970   

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)	BDBM50408970 (CHEMBL321551) Show SMILES COC(=O)[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 Show InChI InChI=1S/C35H42N2O6/c1-35(2,3)43-34(41)36-29(20-24-15-9-6-10-16-24)30(38)22-26(19-23-13-7-5-8-14-23)32(39)37-31-27-18-12-11-17-25(27)21-28(31)33(40)42-4/h5-18,26,28-31,38H,19-22H2,1-4H3,(H,36,41)(H,37,39)/t26-,28-,29+,30+,31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	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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