BDBM9800 Lysine Sulfonamide 13j::N-[(5S)-6-hydroxy-5-[(4-methylbenzene)(2-methylpropyl)sulfonamido]hexyl]-2-{[(2-nitrophenyl)methyl](phenyl)amino}acetamide

SMILES: CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1N(=O)=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=MGTJZTGXMAKEGV-LJAQVGFWSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9800   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM9800 (Lysine Sulfonamide 13j | N-[(5S)-6-hydroxy-5-[(4-m...) Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1N(=O)=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C32H42N4O6S/c1-25(2)21-35(43(41,42)30-18-16-26(3)17-19-30)29(24-37)14-9-10-20-33-32(38)23-34(28-12-5-4-6-13-28)22-27-11-7-8-15-31(27)36(39)40/h4-8,11-13,15-19,25,29,37H,9-10,14,20-24H2,1-3H3,(H,33,38)/t29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacor Inc					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...				Bioorg Med Chem Lett 13: 4289-92 (2003) Article DOI: 10.1016/j.bmcl.2003.09.058 BindingDB Entry DOI: 10.7270/Q26H4FN2
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