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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'nolt' and Initial = 'mb'   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208973
PNG
(US9266881, 12-1)
Show SMILES Cn1cc(nc1CCn1nc2cccc(N3CCOCC3)n2c1=O)-c1ccccc1
Show InChI InChI=1S/C22H24N6O2/c1-25-16-18(17-6-3-2-4-7-17)23-19(25)10-11-27-22(29)28-20(24-27)8-5-9-21(28)26-12-14-30-15-13-26/h2-9,16H,10-15H2,1H3
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0.410 -53.6n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208974
PNG
(US9266881, B-1)
Show SMILES Cn1cc(nc1CCn1nc2cccc(-c3ccncc3)n2c1=O)-c1ccccc1
Show InChI InChI=1S/C23H20N6O/c1-27-16-19(17-6-3-2-4-7-17)25-21(27)12-15-28-23(30)29-20(8-5-9-22(29)26-28)18-10-13-24-14-11-18/h2-11,13-14,16H,12,15H2,1H3
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2 -49.7n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208959
PNG
(US9266881, 6-1)
Show SMILES O=c1n(CCc2ccc3ccccc3n2)nc2cccc(N3CCOCC3)n12
Show InChI InChI=1S/C21H21N5O2/c27-21-25(11-10-17-9-8-16-4-1-2-5-18(16)22-17)23-19-6-3-7-20(26(19)21)24-12-14-28-15-13-24/h1-9H,10-15H2
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2.5 -49.1n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208958
PNG
(US9266881, 5-1)
Show SMILES O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3ccncc3)n12
Show InChI InChI=1S/C22H17N5O/c28-22-26(15-12-18-9-8-16-4-1-2-5-19(16)24-18)25-21-7-3-6-20(27(21)22)17-10-13-23-14-11-17/h1-11,13-14H,12,15H2
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4.40 -47.7n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208972
PNG
(US9266881, 11-4)
Show SMILES Cn1cc(nc1CCn1nc2cccc(Br)n2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H16BrN5O/c1-22-12-14(13-6-3-2-4-7-13)20-16(22)10-11-23-18(25)24-15(19)8-5-9-17(24)21-23/h2-9,12H,10-11H2,1H3
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7.20 -46.5n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208964
PNG
(US9266881, A-1)
Show SMILES O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3cccnc3)n12
Show InChI InChI=1S/C22H17N5O/c28-22-26(14-12-18-11-10-16-5-1-2-7-19(16)24-18)25-21-9-3-8-20(27(21)22)17-6-4-13-23-15-17/h1-11,13,15H,12,14H2
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9 -45.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208960
PNG
(US9266881, 7-2)
Show SMILES COc1ccc(CC(C)(O)c2cccc3nn(CCc4ccc5ccccc5n4)c(=O)n23)cc1
Show InChI InChI=1S/C27H26N4O3/c1-27(33,18-19-10-14-22(34-2)15-11-19)24-8-5-9-25-29-30(26(32)31(24)25)17-16-21-13-12-20-6-3-4-7-23(20)28-21/h3-15,33H,16-18H2,1-2H3
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11 -45.4n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208970
PNG
(US9266881, A-7)
Show SMILES O=c1n(CCc2ccc3ccccc3n2)nc2cccc(NCc3cccnc3)n12
Show InChI InChI=1S/C23H20N6O/c30-23-28(14-12-19-11-10-18-6-1-2-7-20(18)26-19)27-22-9-3-8-21(29(22)23)25-16-17-5-4-13-24-15-17/h1-11,13,15,25H,12,14,16H2
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12 -45.2n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208966
PNG
(US9266881, A-3)
Show SMILES Cc1ccc(cc1)-c1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12
Show InChI InChI=1S/C24H20N4O/c1-17-9-11-19(12-10-17)22-7-4-8-23-26-27(24(29)28(22)23)16-15-20-14-13-18-5-2-3-6-21(18)25-20/h2-14H,15-16H2,1H3
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17 -44.3n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208969
PNG
(US9266881, A-6)
Show SMILES O=c1n(CCc2ccc3ccccc3n2)nc2cccc(N3CCCCC3)n12
Show InChI InChI=1S/C22H23N5O/c28-22-26(16-13-18-12-11-17-7-2-3-8-19(17)23-18)24-20-9-6-10-21(27(20)22)25-14-4-1-5-15-25/h2-3,6-12H,1,4-5,13-16H2
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19 -44.1n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208968
PNG
(US9266881, A-5)
Show SMILES O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3ccccc3)n12
Show InChI InChI=1S/C23H18N4O/c28-23-26(16-15-19-14-13-17-7-4-5-10-20(17)24-19)25-22-12-6-11-21(27(22)23)18-8-2-1-3-9-18/h1-14H,15-16H2
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20 -43.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208957
PNG
(US9266881, 4-1)
Show SMILES O=c1n(CCc2ccc3ccccc3n2)nc2c(cccn12)-c1ncco1
Show InChI InChI=1S/C20H15N5O2/c26-20-24-11-3-5-16(19-21-10-13-27-19)18(24)23-25(20)12-9-15-8-7-14-4-1-2-6-17(14)22-15/h1-8,10-11,13H,9,12H2
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22 -43.7n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208967
PNG
(US9266881, A-4)
Show SMILES O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3cncs3)n12
Show InChI InChI=1S/C20H15N5OS/c26-20-24(11-10-15-9-8-14-4-1-2-5-16(14)22-15)23-19-7-3-6-17(25(19)20)18-12-21-13-27-18/h1-9,12-13H,10-11H2
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23 -43.6n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208954
PNG
(US9266881, 1-6)
Show SMILES Brc1cccn2c1nn(CCc1ccc3ccccc3n1)c2=O
Show InChI InChI=1S/C17H13BrN4O/c18-14-5-3-10-21-16(14)20-22(17(21)23)11-9-13-8-7-12-4-1-2-6-15(12)19-13/h1-8,10H,9,11H2
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37 -42.4n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208955
PNG
(US9266881, 2-4)
Show SMILES Brc1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12
Show InChI InChI=1S/C17H13BrN4O/c18-15-6-3-7-16-20-21(17(23)22(15)16)11-10-13-9-8-12-4-1-2-5-14(12)19-13/h1-9H,10-11H2
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59 -41.3n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208971
PNG
(US9266881, A-8)
Show SMILES CC(C)(O)c1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12
Show InChI InChI=1S/C20H20N4O2/c1-20(2,26)17-8-5-9-18-22-23(19(25)24(17)18)13-12-15-11-10-14-6-3-4-7-16(14)21-15/h3-11,26H,12-13H2,1-2H3
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72 -40.8n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208965
PNG
(US9266881, A-2)
Show SMILES Cc1cccn2c1nn(CCc1ccc3ccccc3n1)c2=O
Show InChI InChI=1S/C18H16N4O/c1-13-5-4-11-21-17(13)20-22(18(21)23)12-10-15-9-8-14-6-2-3-7-16(14)19-15/h2-9,11H,10,12H2,1H3
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74 -40.7n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208961
PNG
(US9266881, 8-2)
Show SMILES O=C(Nc1cccnc1)c1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12
Show InChI InChI=1S/C23H18N6O2/c30-22(26-18-6-4-13-24-15-18)20-8-3-9-21-27-28(23(31)29(20)21)14-12-17-11-10-16-5-1-2-7-19(16)25-17/h1-11,13,15H,12,14H2,(H,26,30)
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97 -40.0n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208963
PNG
(US9266881, 10-4)
Show SMILES O=c1n(CCc2ccc3ncccc3n2)nc2c(cccn12)-c1ccncc1
Show InChI InChI=1S/C21H16N6O/c28-21-26-13-2-3-17(15-7-11-22-12-8-15)20(26)25-27(21)14-9-16-5-6-18-19(24-16)4-1-10-23-18/h1-8,10-13H,9,14H2
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103 -39.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208956
PNG
(US9266881, 3-4)
Show SMILES Brc1ccc2nn(CCc3ccc4ccccc4n3)c(=O)n2c1
Show InChI InChI=1S/C17H13BrN4O/c18-13-6-8-16-20-22(17(23)21(16)11-13)10-9-14-7-5-12-3-1-2-4-15(12)19-14/h1-8,11H,9-10H2
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155 -38.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208962
PNG
(US9266881, 9-1)
Show SMILES O=c1n(CCc2ccc3ccccc3n2)nc2ccc(cn12)-c1cccnc1
Show InChI InChI=1S/C22H17N5O/c28-22-26-15-18(17-5-3-12-23-14-17)8-10-21(26)25-27(22)13-11-19-9-7-16-4-1-2-6-20(16)24-19/h1-10,12,14-15H,11,13H2
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510 -35.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM208975
PNG
(US9266881, 13-6)
Show SMILES O=c1n(C[C@@H]2C[C@H]2c2ccccn2)nc2cccc(N3CCOCC3)n12 |r|
Show InChI InChI=1S/C19H21N5O2/c25-19-23(13-14-12-15(14)16-4-1-2-7-20-16)21-17-5-3-6-18(24(17)19)22-8-10-26-11-9-22/h1-7,14-15H,8-13H2/t14-,15+/m0/s1
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US Patent
546 -35.7n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunn...


US Patent US9266881 (2016)


BindingDB Entry DOI: 10.7270/Q2154FVR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235240
PNG
(CHEMBL4065169)
Show SMILES CS(=O)(=O)Nc1cccc(n1)[C@@H](C(c1cccnc1)c1cccnc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H21FN4O2S/c1-32(30,31)29-22-8-2-7-21(28-22)24(17-9-11-20(25)12-10-17)23(18-5-3-13-26-15-18)19-6-4-14-27-16-19/h2-16,23-24H,1H3,(H,28,29)/t24-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity towards LTB4 receptor was evaluated by inhibition of binding of [3H]LTB4 to human neutrophils


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235240
PNG
(CHEMBL4065169)
Show SMILES CS(=O)(=O)Nc1cccc(n1)[C@@H](C(c1cccnc1)c1cccnc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H21FN4O2S/c1-32(30,31)29-22-8-2-7-21(28-22)24(17-9-11-20(25)12-10-17)23(18-5-3-13-26-15-18)19-6-4-14-27-16-19/h2-16,23-24H,1H3,(H,28,29)/t24-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial myocytes by voltage-patch clamp electrophysiology method


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235250
PNG
(CHEMBL4104525)
Show SMILES O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C23H17Cl2N3O/c24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16/h1-14,21,23,29H/t23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial myocytes by voltage-patch clamp electrophysiology method


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235255
PNG
(CHEMBL4085436)
Show SMILES Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H18ClN3/c24-22-10-2-1-9-20(22)23-17(6-5-13-27-23)14-21(18-7-3-11-25-15-18)19-8-4-12-26-16-19/h1-13,15-16,21H,14H2
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235259
PNG
(CHEMBL4105245)
Show SMILES Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1Cl
Show InChI InChI=1S/C23H17Cl2N3/c24-21-10-2-1-8-19(21)22-16(6-4-12-27-22)14-20(17-7-3-11-26-15-17)18-9-5-13-28-23(18)25/h1-13,15,20H,14H2
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235250
PNG
(CHEMBL4104525)
Show SMILES O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C23H17Cl2N3O/c24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16/h1-14,21,23,29H/t23-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235275
PNG
(CHEMBL4062996)
Show SMILES Clc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H18ClN3/c24-21-9-1-5-17(13-21)23-18(6-4-12-27-23)14-22(19-7-2-10-25-15-19)20-8-3-11-26-16-20/h1-13,15-16,22H,14H2
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235253
PNG
(CHEMBL4075394)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C24H18F3N3O/c25-24(26,27)31-21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194539
PNG
(4-(3-(2-fluorophenyl)propanamido)-N,N-diisopropyl-...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)CCc1ccccc1F)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H36FN3O2/c1-21(2)34(22(3)4)30(36)29(25-14-10-18-32-19-25)26(23-11-6-5-7-12-23)20-33-28(35)17-16-24-13-8-9-15-27(24)31/h5-15,18-19,21-22,26,29H,16-17,20H2,1-4H3,(H,33,35)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235254
PNG
(CHEMBL4095750)
Show SMILES COc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C24H21N3O/c1-28-22-10-2-6-18(14-22)24-19(7-5-13-27-24)15-23(20-8-3-11-25-16-20)21-9-4-12-26-17-21/h2-14,16-17,23H,15H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235260
PNG
(CHEMBL4088894)
Show SMILES Nc1cccc(n1)C(Cc1cccnc1-c1cccc(c1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C24H19F3N4/c25-24(26,27)19-8-1-5-16(13-19)23-17(6-4-12-30-23)14-20(18-7-3-11-29-15-18)21-9-2-10-22(28)31-21/h1-13,15,20H,14H2,(H2,28,31)
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235272
PNG
(CHEMBL4067665)
Show SMILES Nc1cccc(n1)C(Cc1cccnc1-c1cc(Cl)cc(Cl)c1)c1cccnc1
Show InChI InChI=1S/C23H18Cl2N4/c24-18-10-17(11-19(25)13-18)23-15(4-3-9-28-23)12-20(16-5-2-8-27-14-16)21-6-1-7-22(26)29-21/h1-11,13-14,20H,12H2,(H2,26,29)
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n/an/a 62n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235246
PNG
(CHEMBL4097667)
Show SMILES C(C(c1cccnc1)c1cccnc1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C23H19N3/c1-2-10-22(19-7-3-11-24-15-19)18(6-1)14-23(20-8-4-12-25-16-20)21-9-5-13-26-17-21/h1-13,15-17,23H,14H2
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235243
PNG
(CHEMBL4100226)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C27H25N3O/c1-30(2)27(31)22-10-5-9-20(16-22)25-13-4-3-8-21(25)17-26(23-11-6-14-28-18-23)24-12-7-15-29-19-24/h3-16,18-19,26H,17H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235271
PNG
(CHEMBL4094177)
Show SMILES OC(Cc1cccnc1-c1cc(Cl)cc(Cl)c1)(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H17Cl2N3O/c24-20-10-17(11-21(25)12-20)22-16(4-1-9-28-22)13-23(29,18-5-2-7-26-14-18)19-6-3-8-27-15-19/h1-12,14-15,29H,13H2
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235264
PNG
(CHEMBL4100098)
Show SMILES FC(F)(F)c1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C24H18F3N3/c25-24(26,27)21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235241
PNG
(CHEMBL4080304)
Show SMILES CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H21N5/c1-28(21-9-5-12-26-17-21)23-18(6-4-13-27-23)14-22(19-7-2-10-24-15-19)20-8-3-11-25-16-20/h2-13,15-17,22H,14H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194512
PNG
(CHEMBL216955 | N,N-diisopropyl-3-phenyl-4-(3-pheny...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)CC(C)c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C31H39N3O2/c1-22(2)34(23(3)4)31(36)30(27-17-12-18-32-20-27)28(26-15-10-7-11-16-26)21-33-29(35)19-24(5)25-13-8-6-9-14-25/h6-18,20,22-24,28,30H,19,21H2,1-5H3,(H,33,35)
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n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194549
PNG
(CHEMBL217222 | N,N-diisopropyl-3-phenyl-4-(3-pheny...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)CCc1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H37N3O2/c1-22(2)33(23(3)4)30(35)29(26-16-11-19-31-20-26)27(25-14-9-6-10-15-25)21-32-28(34)18-17-24-12-7-5-8-13-24/h5-16,19-20,22-23,27,29H,17-18,21H2,1-4H3,(H,32,34)
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235265
PNG
(CHEMBL4097545)
Show SMILES OC(C(c1cccnc1)c1cccnc1)c1cccnc1-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H17Cl2N3O/c24-19-9-1-7-17(21(19)25)22-18(8-4-12-28-22)23(29)20(15-5-2-10-26-13-15)16-6-3-11-27-14-16/h1-14,20,23,29H
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194510
PNG
(CHEMBL386441 | methyl 5-(diisopropylamino)-3-(3-(3...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1cccc(c1)-c1c(C)noc1C
Show InChI InChI=1S/C28H35N3O4/c1-17(2)31(18(3)4)28(33)27(23-12-9-13-29-16-23)24(15-25(32)34-7)21-10-8-11-22(14-21)26-19(5)30-35-20(26)6/h8-14,16-18,24,27H,15H2,1-7H3
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n/an/a 113n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235249
PNG
(CHEMBL4094185)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccc(F)cc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C27H24FN3O/c1-31(2)27(32)20-7-3-6-19(14-20)25-11-10-24(28)15-23(25)16-26(21-8-4-12-29-17-21)22-9-5-13-30-18-22/h3-15,17-18,26H,16H2,1-2H3
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n/an/a 116n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235247
PNG
(CHEMBL4079636)
Show SMILES C(C(c1cccnc1)c1cccnc1)c1ccccc1-c1cncc2ccccc12
Show InChI InChI=1S/C27H21N3/c1-3-11-24(27-19-30-18-21-8-2-4-12-25(21)27)20(7-1)15-26(22-9-5-13-28-16-22)23-10-6-14-29-17-23/h1-14,16-19,26H,15H2
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n/an/a 133n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235266
PNG
(CHEMBL4068841)
Show SMILES Fc1ccc(CC(c2cccnc2)c2cccnc2)c(c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H18FN3/c26-23-9-8-20(25(14-23)19-5-1-4-18(12-19)15-27)13-24(21-6-2-10-28-16-21)22-7-3-11-29-17-22/h1-12,14,16-17,24H,13H2
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n/an/a 136n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235269
PNG
(CHEMBL4072707)
Show SMILES Cc1cc(F)ccc1-c1ccccc1C(C#N)C(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C26H20FN3/c1-18-14-21(27)10-11-22(18)23-8-2-3-9-24(23)25(15-28)26(19-6-4-12-29-16-19)20-7-5-13-30-17-20/h2-14,16-17,25-26H,1H3
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n/an/a 137n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194540
PNG
(CHEMBL217011 | methyl 3-(3-bromophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1cccc(Br)c1
Show InChI InChI=1S/C23H29BrN2O3/c1-15(2)26(16(3)4)23(28)22(18-9-7-11-25-14-18)20(13-21(27)29-5)17-8-6-10-19(24)12-17/h6-12,14-16,20,22H,13H2,1-5H3
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n/an/a 137n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50194514
PNG
(CHEMBL217921 | methyl 4-(3-bromophenyl)-5-(diisopr...)
Show SMILES COC(=O)CC(C(C(=O)N(C(C)C)C(C)C)c1cccc(Br)c1)c1cccnc1
Show InChI InChI=1S/C23H29BrN2O3/c1-15(2)26(16(3)4)23(28)22(17-8-6-10-19(24)12-17)20(13-21(27)29-5)18-9-7-11-25-14-18/h6-12,14-16,20,22H,13H2,1-5H3
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n/an/a 147n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50235258
PNG
(CHEMBL4081003)
Show SMILES CC(=O)NC(C(c1cccnc1)c1cccnc1)c1ccccc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H21Cl2N3O/c1-17(32)31-26(25(18-6-4-10-29-15-18)19-7-5-11-30-16-19)24-9-3-2-8-23(24)20-12-21(27)14-22(28)13-20/h2-16,25-26H,1H3,(H,31,32)
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n/an/a 148n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.054
BindingDB Entry DOI: 10.7270/Q2DV1N5F
More data for this
Ligand-Target Pair
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