BindingDB logo
myBDB logout

BDBM50220275 1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiperidin-2-yl)cyclopropyl 8-(2-hydroxyethyl)-3,8-diaza-bicyclo[3.2.1]octane-3-carboxylate::CHEMBL392060

SMILES: CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO

InChI Key: InChIKey=LXOFZYZTCPEGNV-ZDTVFLJBSA-N

Data: 2 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 2 hits for monomerid = 50220275   
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 amyloid A4 protein


(Homo sapiens (human))
BDBM50220275
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO
Show InChI InChI=1S/C25H36ClN3O5S/c1-2-19-4-3-5-23(29(19)35(32,33)22-10-6-18(26)7-11-22)25(12-13-25)34-24(31)27-16-20-8-9-21(17-27)28(20)14-15-30/h6-7,10-11,19-21,23,30H,2-5,8-9,12-17H2,1H3/t19-,20?,21?,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of cell Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50220275
PNG
(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiper...)
Show SMILES CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO
Show InChI InChI=1S/C25H36ClN3O5S/c1-2-19-4-3-5-23(29(19)35(32,33)22-10-6-18(26)7-11-22)25(12-13-25)34-24(31)27-16-20-8-9-21(17-27)28(20)14-15-30/h6-7,10-11,19-21,23,30H,2-5,8-9,12-17H2,1H3/t19-,20?,21?,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase assessed as reduction of membrane Abeta40 level


Bioorg Med Chem Lett 17: 5330-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.013
BindingDB Entry DOI: 10.7270/Q21G0KZB
More data for this
Ligand-Target Pair