BDBM50005367 CHEMBL318319

SMILES: [H][C@](O)(C[C@@]([H])(CC(=O)c1ccccc1)C(=O)N[C@]1([H])c2ccccc2C[C@@]1([H])O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=WVCBNOUPUUZSIJ-GRNIXUCMSA-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 = 50005367   

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)	BDBM50005367 (CHEMBL318319) Show SMILES [H][C@](O)(C[C@@]([H])(CC(=O)c1ccccc1)C(=O)N[C@]1([H])c2ccccc2C[C@@]1([H])O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H40N2O6/c1-34(2,3)42-33(41)35-27(18-22-12-6-4-7-13-22)29(38)21-25(20-28(37)23-14-8-5-9-15-23)32(40)36-31-26-17-11-10-16-24(26)19-30(31)39/h4-17,25,27,29-31,38-39H,18-21H2,1-3H3,(H,35,41)(H,36,40)/t25-,27+,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	5.40	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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