null

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O)C(=O)NC(C)(C)C

InChI Key: InChIKey=JKEMJFRUOXJPST-JIMJEQGWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 828   

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)	BDBM828 ((2S)-N-[(2S,3R)-4-[(tert-butylcarbamoyl)(2-methylp...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H43FN4O7S2/c1-20(2)17-34(28(37)32-29(3,4)5)18-26(35)24(16-21-10-8-7-9-11-21)31-27(36)25(33-42(6,38)39)19-43(40,41)23-14-12-22(30)13-15-23/h7-15,20,24-26,33,35H,16-19H2,1-6H3,(H,31,36)(H,32,37)/t24-,25+,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM828 ((2S)-N-[(2S,3R)-4-[(tert-butylcarbamoyl)(2-methylp...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H43FN4O7S2/c1-20(2)17-34(28(37)32-29(3,4)5)18-26(35)24(16-21-10-8-7-9-11-21)31-27(36)25(33-42(6,38)39)19-43(40,41)23-14-12-22(30)13-15-23/h7-15,20,24-26,33,35H,16-19H2,1-6H3,(H,31,36)(H,32,37)/t24-,25+,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	5.5	22
Lilly Research Laboratories					Assay Description The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...				Bioorg Med Chem Lett 5: 2897-902 (1995) BindingDB Entry DOI: 10.7270/Q22F7KMG
					More data for this Ligand-Target Pair