null

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(Cc2noc3ccccc23)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=AUWNLGCUIINJDZ-UBBBDGBOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50109709   

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)	BDBM50109709 ((S)-4-Benzo[d]isoxazol-3-ylmethyl-1-[(2S,4R)-2-hyd...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2noc3ccccc23)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)40-37(47)32-24-42(23-31-30-15-9-10-16-34(30)48-41-31)17-18-43(32)22-28(44)20-27(19-25-11-5-4-6-12-25)36(46)39-35-29-14-8-7-13-26(29)21-33(35)45/h4-16,27-28,32-33,35,44-45H,17-24H2,1-3H3,(H,39,46)(H,40,47)/t27-,28+,32+,33-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109709 ((S)-4-Benzo[d]isoxazol-3-ylmethyl-1-[(2S,4R)-2-hyd...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2noc3ccccc23)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H47N5O5/c1-38(2,3)40-37(47)32-24-42(23-31-30-15-9-10-16-34(30)48-41-31)17-18-43(32)22-28(44)20-27(19-25-11-5-4-6-12-25)36(46)39-35-29-14-8-7-13-26(29)21-33(35)45/h4-16,27-28,32-33,35,44-45H,17-24H2,1-3H3,(H,39,46)(H,40,47)/t27-,28+,32+,33-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair