BindingDB logo
myBDB logout

PubMed code 26099993

Compile data set for download or QSAR
Found 5 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
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50096211
PNG
(CHEMBL3594078)
Show SMILES Oc1ccc(cc1O)-c1cc([nH]n1)-c1c(O)cccc1O
Show InChI InChI=1S/C35H54N6O5/c1-5-23(3)32-31(42)22-40-19-13-12-18-30(40)35(45)37-27(16-9-7-8-14-25(36)6-2)33(43)38-28(34(44)39-32)20-24-21-41(46-4)29-17-11-10-15-26(24)29/h10-11,15,17,21,23,25,27-28,30,32H,5-9,12-14,16,18-20,22,36H2,1-4H3,(H,37,45)(H,38,43)(H,39,44)/t23?,25?,27-,28-,30+,32-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay


J Nat Prod 78: 1593-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00156
BindingDB Entry DOI: 10.7270/Q2NG4SC9
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50096212
PNG
(CHEMBL3594079)
Show SMILES COc1cc(cc(OC)c1O)-c1cc([nH]n1)-c1c(O)cccc1O
Show InChI InChI=1S/C35H51N5O7/c1-5-23(2)32-30(41)22-39-19-13-12-17-29(39)35(45)36-26(15-8-6-7-9-18-31(42)46-3)33(43)37-27(34(44)38-32)20-24-21-40(47-4)28-16-11-10-14-25(24)28/h10-11,14,16,21,23,26-27,29,32H,5-9,12-13,15,17-20,22H2,1-4H3,(H,36,45)(H,37,43)(H,38,44)/t23?,26-,27-,29+,32-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay


J Nat Prod 78: 1593-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00156
BindingDB Entry DOI: 10.7270/Q2NG4SC9
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay


J Nat Prod 78: 1593-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00156
BindingDB Entry DOI: 10.7270/Q2NG4SC9
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50096209
PNG
(CHEMBL3594076)
Show SMILES COc1cc(ccc1O)-c1cc([nH]n1)-c1c(O)cccc1O
Show InChI InChI=1S/C35H51N5O6/c1-5-23(3)32-31(42)22-39-19-13-12-18-30(39)35(45)36-27(16-9-7-8-14-25(41)6-2)33(43)37-28(34(44)38-32)20-24-21-40(46-4)29-17-11-10-15-26(24)29/h10-11,15,17,21,23,27-28,30,32H,5-9,12-14,16,18-20,22H2,1-4H3,(H,36,45)(H,37,43)(H,38,44)/t23?,27-,28-,30+,32-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay


J Nat Prod 78: 1593-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00156
BindingDB Entry DOI: 10.7270/Q2NG4SC9
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50096210
PNG
(CHEMBL3594077)
Show SMILES Oc1ccc(cc1)-c1cc([nH]n1)-c1c(O)cccc1O
Show InChI InChI=1S/C36H53N5O6/c1-5-24(3)32-31(42)22-40-19-13-11-17-30(40)35(45)37-27(15-8-7-12-18-36(6-2)23-47-36)33(43)38-28(34(44)39-32)20-25-21-41(46-4)29-16-10-9-14-26(25)29/h9-10,14,16,21,24,27-28,30,32H,5-8,11-13,15,17-20,22-23H2,1-4H3,(H,37,45)(H,38,43)(H,39,44)/t24?,27-,28-,30+,32-,36?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay


J Nat Prod 78: 1593-9 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00156
BindingDB Entry DOI: 10.7270/Q2NG4SC9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%