null

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)CCCN([C@@H]2[C@H](O)Cc3ccccc23)C1=O

InChI Key: InChIKey=JCBSYLDJTOWQCS-USKLVRHQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50422054   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50422054 (CHEMBL111175) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)CCCN([C@@H]2[C@H](O)Cc3ccccc23)C1=O |r| Show InChI InChI=1S/C36H44N2O5/c1-35(2,3)43-34(42)37-29(21-25-13-6-4-7-14-25)31(40)24-36(23-26-15-8-5-9-16-26)19-12-20-38(33(36)41)32-28-18-11-10-17-27(28)22-30(32)39/h4-11,13-18,29-32,39-40H,12,19-24H2,1-3H3,(H,37,42)/t29-,30+,31-,32-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcal£ Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease.				J Med Chem 41: 836-52 (1998) Article DOI: 10.1021/jm970535b BindingDB Entry DOI: 10.7270/Q21R6RTN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50422054 (CHEMBL111175) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)CCCN([C@@H]2[C@H](O)Cc3ccccc23)C1=O |r| Show InChI InChI=1S/C36H44N2O5/c1-35(2,3)43-34(42)37-29(21-25-13-6-4-7-14-25)31(40)24-36(23-26-15-8-5-9-16-26)19-12-20-38(33(36)41)32-28-18-11-10-17-27(28)22-30(32)39/h4-11,13-18,29-32,39-40H,12,19-24H2,1-3H3,(H,37,42)/t29-,30+,31-,32-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease was determined in vitro				J Med Chem 38: 305-17 (1995) Checked by Author BindingDB Entry DOI: 10.7270/Q23T9G8M
					More data for this Ligand-Target Pair