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Compile Data Set for Download or QSAR

Found 8 hits of kd data for polymerid = 3579   
Target
(Institution)
LigandTarget
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))
BDBM195591
PNG
(US9216974,Resorufin)
Show SMILES Oc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H
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US Patent
n/an/an/a 225n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)

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


(Homo sapiens (human))
BDBM50103964
PNG
(CHEMBL3593932)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
Show InChI InChI=1S/C26H21FN2O4/c27-16-17-33-22-14-10-20(11-15-22)18-28-25-7-2-1-5-23(25)24(26(28)30)6-3-4-19-8-12-21(13-9-19)29(31)32/h1-15H,16-18H2/b4-3+,24-6-
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PubMed
n/an/an/a 271n/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1 hr by scintillation counting


J Med Chem 58: 6002-17 (2015)

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


(Homo sapiens (human))
BDBM195598
PNG
(US9216974, WC-5-4)
Show SMILES COc1cccc(COc2ccc3nc4ccc(=O)cc4oc3c2)c1
Show InChI InChI=1S/C20H15NO4/c1-23-15-4-2-3-13(9-15)12-24-16-6-8-18-20(11-16)25-19-10-14(22)5-7-17(19)21-18/h2-11H,12H2,1H3
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n/an/an/a 537n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)

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


(Homo sapiens (human))
BDBM195599
PNG
(US9216974, WC-5-2)
Show SMILES FCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H10FNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
PDB
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US Patent
n/an/an/a 800n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)

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


(Homo sapiens (human))
BDBM195600
PNG
(US9216974, WC-5-1)
Show SMILES O=c1ccc2nc3ccc(OC#C)cc3oc2c1
Show InChI InChI=1S/C14H7NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h1,3-8H
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n/an/an/a 828n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)

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


(Homo sapiens (human))
BDBM195595
PNG
(US9216974, WC-5-9)
Show SMILES BrCCOc1ccc2nc3ccc(=O)cc3oc2c1
Show InChI InChI=1S/C14H10BrNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2
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US Patent
n/an/an/a 927n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)

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


(Homo sapiens (human))
BDBM195585
PNG
(US9216974, WC-5-3)
Show SMILES FCCn1cc(COc2ccc3nc4ccc(=O)cc4oc3c2)nn1
Show InChI InChI=1S/C17H13FN4O3/c18-5-6-22-9-11(20-21-22)10-24-13-2-4-15-17(8-13)25-16-7-12(23)1-3-14(16)19-15/h1-4,7-9H,5-6,10H2
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n/an/an/a 2.38E+3n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)

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


(Homo sapiens (human))
BDBM195588
PNG
(US9216974, WC-5-31)
Show SMILES Ic1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1
Show InChI InChI=1S/C19H12INO3/c20-13-3-1-12(2-4-13)11-23-15-6-8-17-19(10-15)24-18-9-14(22)5-7-16(18)21-17/h1-10H,11H2
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n/an/an/a>1.00E+4n/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...


US Patent US9216974 (2015)

More data for this
Ligand-Target Pair