BDBM10145 lysine sulfonamide analogue 9::methyl N-[(1S)-1-{[(5R)-5-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-6-hydroxyhexyl]carbamoyl}-2-phenylethyl]-N-methylcarbamate::sulfonamide tricyclic analogue, 9

SMILES: CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23

InChI Key: InChIKey=YUZALEJJOXEEJU-FRPAHBMMSA-N

Data: 4 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 4 hits for monomerid = 10145   

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)	BDBM10145 (lysine sulfonamide analogue 9 | methyl N-[(1S)-1-{...) Show SMILES CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r| Show InChI InChI=1S/C28H38N4O4S/c1-5-19(3)29-17-26(33)23(14-20-10-8-7-9-11-20)30-28(34)22-15-24-27-21(12-13-37(35,36)31(24)4)18-32(6-2)25(27)16-22/h7-11,15-16,18-19,23,26,29,33H,5-6,12-14,17H2,1-4H3,(H,30,34)/t19-,23+,26-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	4.7	30
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
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM10145 (lysine sulfonamide analogue 9 | methyl N-[(1S)-1-{...) Show SMILES CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r| Show InChI InChI=1S/C28H38N4O4S/c1-5-19(3)29-17-26(33)23(14-20-10-8-7-9-11-20)30-28(34)22-15-24-27-21(12-13-37(35,36)31(24)4)18-32(6-2)25(27)16-22/h7-11,15-16,18-19,23,26,29,33H,5-6,12-14,17H2,1-4H3,(H,30,34)/t19-,23+,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...				Bioorg Med Chem Lett 19: 3674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.149 BindingDB Entry DOI: 10.7270/Q25H7DKK
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM10145 (lysine sulfonamide analogue 9 | methyl N-[(1S)-1-{...) Show SMILES CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r| Show InChI InChI=1S/C28H38N4O4S/c1-5-19(3)29-17-26(33)23(14-20-10-8-7-9-11-20)30-28(34)22-15-24-27-21(12-13-37(35,36)31(24)4)18-32(6-2)25(27)16-22/h7-11,15-16,18-19,23,26,29,33H,5-6,12-14,17H2,1-4H3,(H,30,34)/t19-,23+,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...				Bioorg Med Chem Lett 19: 3674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.149 BindingDB Entry DOI: 10.7270/Q25H7DKK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM10145 (lysine sulfonamide analogue 9 | methyl N-[(1S)-1-{...) Show SMILES CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r| Show InChI InChI=1S/C28H38N4O4S/c1-5-19(3)29-17-26(33)23(14-20-10-8-7-9-11-20)30-28(34)22-15-24-27-21(12-13-37(35,36)31(24)4)18-32(6-2)25(27)16-22/h7-11,15-16,18-19,23,26,29,33H,5-6,12-14,17H2,1-4H3,(H,30,34)/t19-,23+,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	4.5	22
GSK					Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...				Bioorg Med Chem Lett 19: 3674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.149 BindingDB Entry DOI: 10.7270/Q25H7DKK
					More data for this Ligand-Target Pair