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BDBM28960 (2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlorobenzene)sulfonamido}propyl N-propylcarbamate::BMCL18464 Compound 14::CHEMBL181204::phenylsulfonamide, 1a

SMILES: CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=YPEBFRLSFJTTLH-CQSZACIVSA-N

Data: 3 EC50

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 = 28960   
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
Gamma-Secretase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM28960
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/an/an/a 85n/an/an/an/a



Wyeth Research



Assay Description
A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ...


Bioorg Med Chem Lett 18: 4232-6 (2008)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM28960
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1
PDB
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Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)

More data for this
Ligand-Target Pair
Gamma-Secretase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM28960
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
H4 human neuroglioma cells expressing beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced with the conditioned...


Bioorg Med Chem Lett 18: 464-8 (2008)

More data for this
Ligand-Target Pair