null

SMILES: Cn1nc(cc1-c1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)s1)C(F)(F)F

InChI Key: InChIKey=XVHCXIJZLNLRAY-IKMZNOBISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50109706   

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)	BDBM50109706 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES Cn1nc(cc1-c1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)s1)C(F)(F)F Show InChI InChI=1S/C40H49F3N6O4S/c1-39(2,3)45-38(53)32-24-48(23-29-14-15-34(54-29)31-21-35(40(41,42)43)46-47(31)4)16-17-49(32)22-28(50)19-27(18-25-10-6-5-7-11-25)37(52)44-36-30-13-9-8-12-26(30)20-33(36)51/h5-15,21,27-28,32-33,36,50-51H,16-20,22-24H2,1-4H3,(H,44,52)(H,45,53)/t27-,28+,32+,33-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.130	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109706 ((S)-1-[(2S,4R)-2-Hydroxy-4-((R)-(R)-2-hydroxy-inda...) Show SMILES Cn1nc(cc1-c1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)NC3[C@H](O)Cc4ccccc34)[C@@H](C2)C(=O)NC(C)(C)C)s1)C(F)(F)F Show InChI InChI=1S/C40H49F3N6O4S/c1-39(2,3)45-38(53)32-24-48(23-29-14-15-34(54-29)31-21-35(40(41,42)43)46-47(31)4)16-17-49(32)22-28(50)19-27(18-25-10-6-5-7-11-25)37(52)44-36-30-13-9-8-12-26(30)20-33(36)51/h5-15,21,27-28,32-33,36,50-51H,16-20,22-24H2,1-4H3,(H,44,52)(H,45,53)/t27-,28+,32+,33-,36?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	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