BDBM10179 (2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-6-hydroxyhexyl]-2-[(4-hydroxy-3-methoxyphenyl)formamido]-3,3-diphenylpropanamide::lysine sulfonamide analogue 40

SMILES: COc1cc(ccc1O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=WQQGWSHSBOBISV-SLXAZOFISA-N

Data: 1 KI  1 IC50

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 = 10179   

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)	BDBM10179 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES COc1cc(ccc1O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C39H48N4O7S/c1-27(2)25-43(51(48,49)33-20-18-31(40)19-21-33)32(26-44)16-10-11-23-41-39(47)37(42-38(46)30-17-22-34(45)35(24-30)50-3)36(28-12-6-4-7-13-28)29-14-8-5-9-15-29/h4-9,12-15,17-22,24,27,32,36-37,44-45H,10-11,16,23,25-26,40H2,1-3H3,(H,41,47)(H,42,46)/t32?,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
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