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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50012791   
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))
BDBM50100130
PNG
(4-(6-Iodobenzo[d]thiazol-2-yl)-N,N-dimethylaniline...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C15H13IN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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PubMed
0.900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122785
PNG
(4-(6-bromoH-imidazo[1,2-a]pyridin-2-yl)-N,N-dimeth...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C15H14BrN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3
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Article
PubMed
10.3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122787
PNG
(2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1
Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3
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15n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122784
PNG
(CHEMBL78621 | Dimethyl-[4-(6-methyl-imidazo[1,2-a]...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(C)ccc2n1
Show InChI InChI=1S/C16H17N3/c1-12-4-9-16-17-15(11-19(16)10-12)13-5-7-14(8-6-13)18(2)3/h4-11H,1-3H3
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242n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122789
PNG
(CHEMBL309920 | [2-(4-Bromo-phenyl)-imidazo[1,2-a]p...)
Show SMILES CN(C)c1ccc2nc(cn2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H14BrN3/c1-18(2)13-7-8-15-17-14(10-19(15)9-13)11-3-5-12(16)6-4-11/h3-10H,1-2H3
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339n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122788
PNG
(2-(4-Bromo-phenyl)-6-methyl-imidazo[1,2-a]pyridine...)
Show SMILES Cc1ccc2nc(cn2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
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PubMed
638n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122782
PNG
((4-Imidazo[1,2-a]pyridin-2-yl-phenyl)-methyl-amine...)
Show SMILES CNc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C14H13N3/c1-15-12-7-5-11(6-8-12)13-10-17-9-3-2-4-14(17)16-13/h2-10,15H,1H3
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122786
PNG
(CHEMBL78410 | Methyl-[4-(6-methyl-imidazo[1,2-a]py...)
Show SMILES CNc1ccc(cc1)-c1cn2cc(C)ccc2n1
Show InChI InChI=1S/C15H15N3/c1-11-3-8-15-17-14(10-18(15)9-11)12-4-6-13(16-2)7-5-12/h3-10,16H,1-2H3
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PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122790
PNG
(CHEMBL310444 | [4-(3,6-Diiodo-imidazo[1,2-a]pyridi...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(I)cn2c1I
Show InChI InChI=1S/C15H13I2N3/c1-19(2)12-6-3-10(4-7-12)14-15(17)20-9-11(16)5-8-13(20)18-14/h3-9H,1-2H3
PDB
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PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122783
PNG
(CHEMBL311035 | [4-(3-Iodo-imidazo[1,2-a]pyridin-2-...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccn2c1I
Show InChI InChI=1S/C15H14IN3/c1-18(2)12-8-6-11(7-9-12)14-15(16)19-10-4-3-5-13(19)17-14/h3-10H,1-2H3
PDB
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PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50122791
PNG
((4-Imidazo[1,2-a]pyridin-2-yl-phenyl)-dimethyl-ami...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C15H15N3/c1-17(2)13-8-6-12(7-9-13)14-11-18-10-4-3-5-15(18)16-14/h3-11H,1-2H3
PDB
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PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair