BindingDB logo
myBDB logout

PubMed code 26898338

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))		BDBM50151297
PNG
(CHEMBL3771056)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(Cl)c2)nc2c1C=CCN=C2c1ccccc1 |c:26,29|
Show InChI InChI=1S/C25H22ClN7O/c1-27-24-18-9-6-12-28-22(16-7-4-3-5-8-16)23(18)31-25(32-24)30-17-10-11-19(20(13-17)34-2)33-14-21(26)29-15-33/h3-11,13-15H,12H2,1-2H3,(H2,27,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA

Bioorg Med Chem Lett 26: 1554-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.016
BindingDB Entry DOI: 10.7270/Q2Q81FXR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50151298
PNG
(CHEMBL3769869)
Show SMILES COc1cc(Nc2nc(N(C)C)c3C=CCN=C(c4ccccc4)c3n2)ccc1-n1cnc(Cl)c1 |c:13,t:16|
Show InChI InChI=1S/C26H24ClN7O/c1-33(2)25-19-10-7-13-28-23(17-8-5-4-6-9-17)24(19)31-26(32-25)30-18-11-12-20(21(14-18)35-3)34-15-22(27)29-16-34/h4-12,14-16H,13H2,1-3H3,(H,30,31,32)
PDB
MMDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA

Bioorg Med Chem Lett 26: 1554-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.016
BindingDB Entry DOI: 10.7270/Q2Q81FXR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50151299
PNG
(CHEMBL3770867)
Show SMILES COc1cc(Nc2nc3C(NCC=Cc3c(n2)N(C)C)c2ccccc2)ccc1-n1cnc(Cl)c1 |c:12|
Show InChI InChI=1S/C26H26ClN7O/c1-33(2)25-19-10-7-13-28-23(17-8-5-4-6-9-17)24(19)31-26(32-25)30-18-11-12-20(21(14-18)35-3)34-15-22(27)29-16-34/h4-12,14-16,23,28H,13H2,1-3H3,(H,30,31,32)
PDB
MMDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA

Bioorg Med Chem Lett 26: 1554-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.016
BindingDB Entry DOI: 10.7270/Q2Q81FXR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50151300
PNG
(CHEMBL3769891)
Show SMILES COc1cc(Nc2nc3C(OCC=Cc3c(n2)N(C)C)c2ccccc2)ccc1-n1cnc(Cl)c1 |c:12|
Show InChI InChI=1S/C26H25ClN6O2/c1-32(2)25-19-10-7-13-35-24(17-8-5-4-6-9-17)23(19)30-26(31-25)29-18-11-12-20(21(14-18)34-3)33-15-22(27)28-16-33/h4-12,14-16,24H,13H2,1-3H3,(H,29,30,31)
PDB
MMDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA

Bioorg Med Chem Lett 26: 1554-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.016
BindingDB Entry DOI: 10.7270/Q2Q81FXR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%