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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 175.1
BDBM265107
Wt: 175.1
BDBM265110
Wt: 176.1
BDBM265119
Wt: 190.1
BDBM265125
Wt: 190.1
BDBM265131
Wt: 190.1
BDBM265134
Wt: 174.1
BDBM265137
Wt: 181.1
BDBM265146
Wt: 176.1
BDBM265266
Wt: 186.1
BDBM265296
Wt: 190.1
BDBM265458
Wt: 190.1
BDBM265461
Wt: 189.1
BDBM265464
Wt: 189.1
BDBM265473
Wt: 188.1
BDBM265479
Displayed 1 to 15 (of 755 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265125
PNG
(US9718808, 5)
Show SMILES Cc1cc(nnc1C=O)-n1cnnn1
Show InChI InChI=1S/C7H6N6O/c1-5-2-7(10-9-6(5)3-14)13-4-8-11-12-13/h2-4H,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265134
PNG
(US9718808, 7)
Show SMILES Cc1cc(C=O)nnc1-n1cnnn1
Show InChI InChI=1S/C7H6N6O/c1-5-2-6(3-14)9-10-7(5)13-4-8-11-12-13/h2-4H,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265266
PNG
(US9718808, 14)
Show SMILES Cc1c2COC(=O)c2ccc1C=O
Show InChI InChI=1S/C10H8O3/c1-6-7(4-11)2-3-8-9(6)5-13-10(8)12/h2-4H,5H2,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265146
PNG
(US9718808, 9)
Show SMILES O=Cc1cnc(s1)-n1cnnn1
Show InChI InChI=1S/C5H3N5OS/c11-2-4-1-6-5(12-4)10-3-7-8-9-10/h1-3H
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265479
PNG
(US9718808, 27)
Show SMILES CC(=O)c1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C9H8N4O/c1-7(14)8-2-4-9(5-3-8)13-6-10-11-12-13/h2-6H,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265107
PNG
(US9718808, 2)
Show SMILES O=Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C7H5N5O/c13-4-6-1-2-7(8-3-6)12-5-9-10-11-12/h1-5H
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265458
PNG
(US9718808, 21)
Show SMILES CC(=O)c1ccc(nn1)-n1cnnn1
Show InChI InChI=1S/C7H6N6O/c1-5(14)6-2-3-7(10-9-6)13-4-8-11-12-13/h2-4H,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265296
PNG
(US9718808, 15)
Show SMILES O=Cc1ccc2Cn3nnnc3-c2c1
Show InChI InChI=1S/C9H6N4O/c14-5-6-1-2-7-4-13-9(8(7)3-6)10-11-12-13/h1-3,5H,4H2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265461
PNG
(US9718808, 22)
Show SMILES CC(=O)c1cnc(cn1)-n1cnnn1
Show InChI InChI=1S/C7H6N6O/c1-5(14)6-2-9-7(3-8-6)13-4-10-11-12-13/h2-4H,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265110
PNG
(US9718808, 3)
Show SMILES O=Cc1ccc(cn1)-n1cnnn1
Show InChI InChI=1S/C7H5N5O/c13-4-6-1-2-7(3-8-6)12-5-9-10-11-12/h1-5H
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265473
PNG
(US9718808, 25)
Show SMILES CC(=O)c1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C8H7N5O/c1-6(14)7-2-3-8(9-4-7)13-5-10-11-12-13/h2-5H,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265119
PNG
(US9718808, 4)
Show SMILES O=Cc1cnc(cn1)-n1cnnn1
Show InChI InChI=1S/C6H4N6O/c13-3-5-1-8-6(2-7-5)12-4-9-10-11-12/h1-4H
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265131
PNG
(US9718808, 6)
Show SMILES Cc1nc(cnc1C=O)-n1cnnn1
Show InChI InChI=1S/C7H6N6O/c1-5-6(3-14)8-2-7(10-5)13-4-9-11-12-13/h2-4H,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265137
PNG
(US9718808, 8)
Show SMILES O=Cc1ccc(cc1)-n1cnnn1
Show InChI InChI=1S/C8H6N4O/c13-5-7-1-3-8(4-2-7)12-6-9-10-11-12/h1-6H
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM265464
PNG
(US9718808, 23)
Show SMILES CC(=O)c1ccc(cn1)-n1cnnn1
Show InChI InChI=1S/C8H7N5O/c1-6(14)8-3-2-7(4-9-8)13-5-10-11-12-13/h2-5H,1H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT ...


US Patent US9718808 (2017)

More data for this
Ligand-Target Pair