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BDBM29781 6,6,5 tricyclic sulfonamide, 21

SMILES: CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1

InChI Key: InChIKey=BIFXFADRRVXKMW-LMSSTIIKSA-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 = 29781   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM29781
PNG
(6,6,5 tricyclic sulfonamide, 21)
Show SMILES CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
Show InChI InChI=1S/C31H36N4O5S/c1-4-23-19-35-20-41(38,39)34(2)28-16-24(15-26(23)30(28)35)31(37)33-27(14-21-9-6-5-7-10-21)29(36)18-32-17-22-11-8-12-25(13-22)40-3/h5-13,15-16,19,27,29,32,36H,4,14,17-18,20H2,1-3H3,(H,33,37)/t27-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/a4.522



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: 3669-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.150
BindingDB Entry DOI: 10.7270/Q29885BR
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM29781
PNG
(6,6,5 tricyclic sulfonamide, 21)
Show SMILES CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
Show InChI InChI=1S/C31H36N4O5S/c1-4-23-19-35-20-41(38,39)34(2)28-16-24(15-26(23)30(28)35)31(37)33-27(14-21-9-6-5-7-10-21)29(36)18-32-17-22-11-8-12-25(13-22)40-3/h5-13,15-16,19,27,29,32,36H,4,14,17-18,20H2,1-3H3,(H,33,37)/t27-,29+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/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: 3669-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.150
BindingDB Entry DOI: 10.7270/Q29885BR
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM29781
PNG
(6,6,5 tricyclic sulfonamide, 21)
Show SMILES CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
Show InChI InChI=1S/C31H36N4O5S/c1-4-23-19-35-20-41(38,39)34(2)28-16-24(15-26(23)30(28)35)31(37)33-27(14-21-9-6-5-7-10-21)29(36)18-32-17-22-11-8-12-25(13-22)40-3/h5-13,15-16,19,27,29,32,36H,4,14,17-18,20H2,1-3H3,(H,33,37)/t27-,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/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: 3669-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.150
BindingDB Entry DOI: 10.7270/Q29885BR
More data for this
Ligand-Target Pair