BDBM50408967 CHEMBL322214

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=ZTPYYSCZRHAURY-IJEKCQKQSA-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 = 50408967   

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)	BDBM50408967 (CHEMBL322214) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C32H39N3O5/c1-32(2,3)40-31(39)34-26(18-21-9-5-4-6-10-21)27(36)20-24(17-22-13-15-33-16-14-22)30(38)35-29-25-12-8-7-11-23(25)19-28(29)37/h4-16,24,26-29,36-37H,17-20H2,1-3H3,(H,34,39)(H,35,38)/t24-,26+,27+,28-,29-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.530	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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