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Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'dahlÚn' and Initial = 'a'   
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
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008271
PNG
(CHEMBL3235132)
Show SMILES CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r|
Show InChI InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a using hippuryl-L-arginine/hippuryl-L-lysine as substrate by liquid chromatographic analysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008272
PNG
(CHEMBL3235133)
Show SMILES Cl.CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r|
Show InChI InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1
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n/an/a<41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008279
PNG
(CHEMBL3235140)
Show SMILES Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O |r|
Show InChI InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008278
PNG
(CHEMBL3235139)
Show SMILES NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008271
PNG
(CHEMBL3235132)
Show SMILES CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r|
Show InChI InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008273
PNG
(CHEMBL3235134)
Show SMILES NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TAF1a in human plasma assessed as clot lysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008269
PNG
(CHEMBL3235130)
Show SMILES C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O |r|
Show InChI InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a using hippuryl-L-arginine/hippuryl-L-lysine as substrate by liquid chromatographic analysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008272
PNG
(CHEMBL3235133)
Show SMILES Cl.CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r|
Show InChI InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TAF1a in human plasma assessed as clot lysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008274
PNG
(CHEMBL3235135)
Show SMILES NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H27N3O2/c25-13-5-11-24(23(28)29)12-10-22-21(15-24)26-17-27(22)16-18-6-4-9-20(14-18)19-7-2-1-3-8-19/h1-4,6-9,14,17H,5,10-13,15-16,25H2,(H,28,29)/t24-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008273
PNG
(CHEMBL3235134)
Show SMILES NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008275
PNG
(CHEMBL3235136)
Show SMILES NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O |(12.03,-18.01,;11.64,-19.5,;10.15,-19.91,;9.76,-21.4,;8.28,-21.8,;8.28,-20.26,;6.95,-19.48,;5.61,-20.25,;5.62,-21.8,;6.95,-22.56,;4.15,-22.29,;3.24,-21.04,;4.14,-19.78,;3.66,-18.32,;4.68,-17.17,;4.2,-15.71,;5.22,-14.56,;4.74,-13.1,;3.23,-12.78,;2.2,-13.93,;2.68,-15.4,;2.75,-11.32,;3.78,-10.18,;3.31,-8.72,;1.8,-8.39,;.77,-9.54,;1.25,-11.01,;9.04,-23.13,;8.26,-24.46,;10.58,-23.14,)|
Show InChI InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)
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n/an/a 124n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160718
PNG
(CHEMBL3786344)
Show SMILES CCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C30H42Cl2N8O2/c1-38-26(17-25(37-38)22-7-4-8-23(31)27(22)32)20-11-14-39(15-12-20)30(42)35-13-9-24(36-29(33)34)28(41)40-16-10-19-5-2-3-6-21(19)18-40/h4,7-8,17,19-21,24H,2-3,5-6,9-16,18H2,1H3,(H,35,42)(H4,33,34,36)/t19?,21?,24-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008269
PNG
(CHEMBL3235130)
Show SMILES C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O |r|
Show InChI InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TAF1a in human plasma assessed as clot lysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50226610
PNG
((2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]...)
Show SMILES CCCn1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a using hippuryl-L-arginine/hippuryl-L-lysine as substrate by liquid chromatographic analysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160712
PNG
(CHEMBL3785768)
Show SMILES CC(C)(CN1C(C(=O)NCCCF)c2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H29Cl2N7O2S/c1-13(26-20(23)24)6-9-25-32(30,31)29-10-7-14(8-11-29)18-12-17(27-28(18)2)15-4-3-5-16(21)19(15)22/h3-5,12-14,25H,6-11H2,1-2H3,(H4,23,24,26)/t13-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008276
PNG
(CHEMBL3235137)
Show SMILES NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H21N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160716
PNG
(CHEMBL3785198)
Show SMILES CC(C)(CN1C(C(=O)NCCCC(F)F)c2ccccc2C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H36Cl2N8O2/c1-4-34(5-2)23(36)19(31-24(28)29)9-12-30-25(37)35-13-10-16(11-14-35)21-15-20(32-33(21)3)17-7-6-8-18(26)22(17)27/h6-8,15-16,19H,4-5,9-14H2,1-3H3,(H,30,37)(H4,28,29,31)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008270
PNG
(CHEMBL3235131)
Show SMILES CCCn1cnc(CC(NCCN)C(O)=O)c1
Show InChI InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a using hippuryl-L-arginine/hippuryl-L-lysine as substrate by liquid chromatographic analysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160712
PNG
(CHEMBL3785768)
Show SMILES CC(C)(CN1C(C(=O)NCCCF)c2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H29Cl2N7O2S/c1-13(26-20(23)24)6-9-25-32(30,31)29-10-7-14(8-11-29)18-12-17(27-28(18)2)15-4-3-5-16(21)19(15)22/h3-5,12-14,25H,6-11H2,1-2H3,(H4,23,24,26)/t13-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160718
PNG
(CHEMBL3786344)
Show SMILES CCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C30H42Cl2N8O2/c1-38-26(17-25(37-38)22-7-4-8-23(31)27(22)32)20-11-14-39(15-12-20)30(42)35-13-9-24(36-29(33)34)28(41)40-16-10-19-5-2-3-6-21(19)18-40/h4,7-8,17,19-21,24H,2-3,5-6,9-16,18H2,1H3,(H,35,42)(H4,33,34,36)/t19?,21?,24-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160704
PNG
(CHEMBL3785486)
Show SMILES CCCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H27Cl2N7O3/c1-29-17(11-16(28-29)13-3-2-4-14(22)18(13)23)12-6-9-30(10-7-12)21(33)26-8-5-15(19(31)32)27-20(24)25/h2-4,11-12,15H,5-10H2,1H3,(H,26,33)(H,31,32)(H4,24,25,27)/t15-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by Rb-flux assay


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160697
PNG
(CHEMBL3785335)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H29Cl2N7O/c1-13(27-20(24)25)6-9-26-21(31)30-10-7-14(8-11-30)18-12-17(28-29(18)2)15-4-3-5-16(22)19(15)23/h3-5,12-14H,6-11H2,1-2H3,(H,26,31)(H4,24,25,27)/t13-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160743
PNG
(CHEMBL3785621)
Show SMILES COc1ccc2C(N(Cc3ccccc3-c3ccccc3)C(=O)c2c1C)C(=O)NC(C)(C)C
Show InChI InChI=1/C28H30N2O3/c1-18-23(33-5)16-15-22-24(18)27(32)30(25(22)26(31)29-28(2,3)4)17-20-13-9-10-14-21(20)19-11-7-6-8-12-19/h6-16,25H,17H2,1-5H3,(H,29,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160700
PNG
(CHEMBL3785765)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2cc(F)ccc2-c2ccc(F)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C23H33Cl2N7O/c1-14(2)18(29-22(26)27)7-10-28-23(33)32-11-8-15(9-12-32)20-13-19(30-31(20)3)16-5-4-6-17(24)21(16)25/h4-6,13-15,18H,7-12H2,1-3H3,(H,28,33)(H4,26,27,29)/t18-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160565
PNG
(CHEMBL3786542)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1/C26H26N2O2/c1-26(2,3)27-24(29)23-21-15-9-10-16-22(21)25(30)28(23)17-19-13-7-8-14-20(19)18-11-5-4-6-12-18/h4-16,23H,17H2,1-3H3,(H,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160747
PNG
(CHEMBL3785933)
Show SMILES CCCCNC(=O)C1N(CC(C)c2ccc(F)cc2)C(=O)c2ccccc12
Show InChI InChI=1/C22H25FN2O2/c1-3-4-13-24-21(26)20-18-7-5-6-8-19(18)22(27)25(20)14-15(2)16-9-11-17(23)12-10-16/h5-12,15,20H,3-4,13-14H2,1-2H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008271
PNG
(CHEMBL3235132)
Show SMILES CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O |r|
Show InChI InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TAF1a in human plasma assessed as clot lysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160712
PNG
(CHEMBL3785768)
Show SMILES CC(C)(CN1C(C(=O)NCCCF)c2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H29Cl2N7O2S/c1-13(26-20(23)24)6-9-25-32(30,31)29-10-7-14(8-11-29)18-12-17(27-28(18)2)15-4-3-5-16(21)19(15)22/h3-5,12-14,25H,6-11H2,1-2H3,(H4,23,24,26)/t13-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160565
PNG
(CHEMBL3786542)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1/C26H26N2O2/c1-26(2,3)27-24(29)23-21-15-9-10-16-22(21)25(30)28(23)17-19-13-7-8-14-20(19)18-11-5-4-6-12-18/h4-16,23H,17H2,1-3H3,(H,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160699
PNG
(CHEMBL3786460)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)c(F)c2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H33Cl2N7O2S/c1-14(2)18(28-22(25)26)7-10-27-34(32,33)31-11-8-15(9-12-31)20-13-19(29-30(20)3)16-5-4-6-17(23)21(16)24/h4-6,13-15,18,27H,7-12H2,1-3H3,(H4,25,26,28)/t18-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160704
PNG
(CHEMBL3785486)
Show SMILES CCCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H27Cl2N7O3/c1-29-17(11-16(28-29)13-3-2-4-14(22)18(13)23)12-6-9-30(10-7-12)21(33)26-8-5-15(19(31)32)27-20(24)25/h2-4,11-12,15H,5-10H2,1H3,(H,26,33)(H,31,32)(H4,24,25,27)/t15-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160715
PNG
(CHEMBL3785865)
Show SMILES Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1O
Show InChI InChI=1S/C21H29Cl2N7O/c1-28(20(24)25)10-4-9-26-21(31)30-11-7-14(8-12-30)18-13-17(27-29(18)2)15-5-3-6-16(22)19(15)23/h3,5-6,13-14H,4,7-12H2,1-2H3,(H3,24,25)(H,26,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by Rb-flux assay


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160714
PNG
(CHEMBL3785721)
Show SMILES CCCCNC(=O)C1N(CC(C)(O)c2ccc(Cl)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H29Cl2N7O3/c1-30-18(12-17(29-30)14-4-3-5-15(23)19(14)24)13-7-10-31(11-8-13)22(33)27-9-6-16(20(32)34-2)28-21(25)26/h3-5,12-13,16H,6-11H2,1-2H3,(H,27,33)(H4,25,26,28)/t16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160733
PNG
(CHEMBL3787444)
Show SMILES CC(CN1C(C(=O)NCC(F)F)c2ccccc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C20H19ClF2N2O2/c1-12(13-6-8-14(21)9-7-13)11-25-18(19(26)24-10-17(22)23)15-4-2-3-5-16(15)20(25)27/h2-9,12,17-18H,10-11H2,1H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160692
PNG
(CHEMBL3785810)
Show SMILES Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1OC(F)F
Show InChI InChI=1S/C23H33Cl2N7O/c1-14(2)18(29-22(26)27)7-10-28-23(33)32-11-8-15(9-12-32)20-13-19(30-31(20)3)16-5-4-6-17(24)21(16)25/h4-6,13-15,18H,7-12H2,1-3H3,(H,28,33)(H4,26,27,29)/t18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by Rb-flux assay


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160710
PNG
(CHEMBL3785427)
Show SMILES CC(C)(CN1C(C(=O)NCC(F)F)c2ccccc2C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H33Cl2N7O6S/c1-33(26(29)30)11-3-10-31-42(38,39)35-12-8-16(9-13-35)20-14-19(32-34(20)2)18-5-7-21(24(28)23(18)27)40-15-17-4-6-22(41-17)25(36)37/h4-7,14,16,31H,3,8-13,15H2,1-2H3,(H3,29,30)(H,36,37)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160694
PNG
(CHEMBL3786683)
Show SMILES Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1OCF
Show InChI InChI=1S/C19H27Cl2N7O2S/c1-27-17(12-16(26-27)14-4-2-5-15(20)18(14)21)13-6-10-28(11-7-13)31(29,30)25-9-3-8-24-19(22)23/h2,4-5,12-13,25H,3,6-11H2,1H3,(H4,22,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50008278
PNG
(CHEMBL3235139)
Show SMILES NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TAF1a in human plasma assessed as clot lysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160715
PNG
(CHEMBL3785865)
Show SMILES Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1O
Show InChI InChI=1S/C21H29Cl2N7O/c1-28(20(24)25)10-4-9-26-21(31)30-11-7-14(8-12-30)18-13-17(27-29(18)2)15-5-3-6-16(22)19(15)23/h3,5-6,13-14H,4,7-12H2,1-2H3,(H3,24,25)(H,26,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160701
PNG
(CHEMBL3786519)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccc(F)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H33Cl2N7O2S/c1-3-11-30(22(25)26)12-5-10-27-34(32,33)31-13-8-16(9-14-31)20-15-19(28-29(20)2)17-6-4-7-18(23)21(17)24/h4,6-7,15-16,27H,3,5,8-14H2,1-2H3,(H3,25,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160702
PNG
(CHEMBL3787088)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2cc(F)ccc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C18H25Cl2N7O2S/c1-26-16(11-15(25-26)13-3-2-4-14(19)17(13)20)12-5-9-27(10-6-12)30(28,29)24-8-7-23-18(21)22/h2-4,11-12,24H,5-10H2,1H3,(H4,21,22,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160566
PNG
(CHEMBL3786255)
Show SMILES CC(N1C(C(=O)NCc2ccccc2)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1/C24H22N2O2/c1-17(19-12-6-3-7-13-19)26-22(20-14-8-9-15-21(20)24(26)28)23(27)25-16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,25,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160699
PNG
(CHEMBL3786460)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccc(F)c(F)c2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H33Cl2N7O2S/c1-14(2)18(28-22(25)26)7-10-27-34(32,33)31-11-8-15(9-12-31)20-13-19(29-30(20)3)16-5-4-6-17(23)21(16)24/h4-6,13-15,18,27H,7-12H2,1-3H3,(H4,25,26,28)/t18-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50135933
PNG
(3-(6-Amino-pyridin-3-yl)-2-(1H-imidazol-4-yl)-prop...)
Show SMILES Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1
Show InChI InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a using hippuryl-L-arginine/hippuryl-L-lysine as substrate by liquid chromatographic analysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160702
PNG
(CHEMBL3787088)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2cc(F)ccc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C18H25Cl2N7O2S/c1-26-16(11-15(25-26)13-3-2-4-14(19)17(13)20)12-5-9-27(10-6-12)30(28,29)24-8-7-23-18(21)22/h2-4,11-12,24H,5-10H2,1H3,(H4,21,22,23)
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n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160694
PNG
(CHEMBL3786683)
Show SMILES Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1OCF
Show InChI InChI=1S/C19H27Cl2N7O2S/c1-27-17(12-16(26-27)14-4-2-5-15(20)18(14)21)13-6-10-28(11-7-13)31(29,30)25-9-3-8-24-19(22)23/h2,4-5,12-13,25H,3,6-11H2,1H3,(H4,22,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by Rb-flux assay


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160697
PNG
(CHEMBL3785335)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccc(F)cc2-c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H29Cl2N7O/c1-13(27-20(24)25)6-9-26-21(31)30-10-7-14(8-11-30)18-12-17(28-29(18)2)15-4-3-5-16(22)19(15)23/h3-5,12-14H,6-11H2,1-2H3,(H,26,31)(H4,24,25,27)/t13-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160715
PNG
(CHEMBL3785865)
Show SMILES Cc1c2C(=O)N(Cc3ccccc3-c3ccccc3)C(C(=O)NC(C)(C)C)c2ccc1O
Show InChI InChI=1S/C21H29Cl2N7O/c1-28(20(24)25)10-4-9-26-21(31)30-11-7-14(8-12-30)18-13-17(27-29(18)2)15-5-3-6-16(22)19(15)23/h3,5-6,13-14H,4,7-12H2,1-2H3,(H3,24,25)(H,26,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160700
PNG
(CHEMBL3785765)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2cc(F)ccc2-c2ccc(F)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C23H33Cl2N7O/c1-14(2)18(29-22(26)27)7-10-28-23(33)32-11-8-15(9-12-32)20-13-19(30-31(20)3)16-5-4-6-17(24)21(16)25/h4-6,13-15,18H,7-12H2,1-3H3,(H,28,33)(H4,26,27,29)/t18-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50160744
PNG
(CHEMBL3787356)
Show SMILES CC(C)(C)NC(=O)C1N(Cc2ccccc2-c2ccccc2)C(=O)c2cccc(O)c12
Show InChI InChI=1/C26H26N2O3/c1-26(2,3)27-24(30)23-22-20(14-9-15-21(22)29)25(31)28(23)16-18-12-7-8-13-19(18)17-10-5-4-6-11-17/h4-15,23,29H,16H2,1-3H3,(H,27,30)
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n/an/a 2.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel by QPatch-clamp method


Bioorg Med Chem Lett 26: 2023-9 (2016)


BindingDB Entry DOI: 10.7270/Q2D220HH
More data for this
Ligand-Target Pair
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