BDBM29805 sulfone tricyclic analogue, 18

SMILES: CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=FYARDFZESROLIJ-RRPNLBNLSA-N

Data: 3 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 3 hits for monomerid = 29805   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM29805 (sulfone tricyclic analogue, 18) Show SMILES CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C31H32F3N3O5S/c1-2-22-19-37-11-12-43(40,41)42-28-16-23(15-25(22)29(28)37)30(39)36-26(14-20-7-4-3-5-8-20)27(38)18-35-17-21-9-6-10-24(13-21)31(32,33)34/h3-10,13,15-16,19,26-27,35,38H,2,11-12,14,17-18H2,1H3,(H,36,39)/t26-,27+/m0/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	8	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
Beta-secretase 2 (Homo sapiens (Human))	BDBM29805 (sulfone tricyclic analogue, 18) Show SMILES CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C31H32F3N3O5S/c1-2-22-19-37-11-12-43(40,41)42-28-16-23(15-25(22)29(28)37)30(39)36-26(14-20-7-4-3-5-8-20)27(38)18-35-17-21-9-6-10-24(13-21)31(32,33)34/h3-10,13,15-16,19,26-27,35,38H,2,11-12,14,17-18H2,1H3,(H,36,39)/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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
Cathepsin D (Homo sapiens (Human))	BDBM29805 (sulfone tricyclic analogue, 18) Show SMILES CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C31H32F3N3O5S/c1-2-22-19-37-11-12-43(40,41)42-28-16-23(15-25(22)29(28)37)30(39)36-26(14-20-7-4-3-5-8-20)27(38)18-35-17-21-9-6-10-24(13-21)31(32,33)34/h3-10,13,15-16,19,26-27,35,38H,2,11-12,14,17-18H2,1H3,(H,36,39)/t26-,27+/m0/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	2.16E+3	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