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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'Åstrand' 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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425106
PNG
(CHEMBL2312931)
Show SMILES Clc1cc(Cl)cc(c1)-c1ncccc1CNP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H19Cl2N2OP/c25-20-14-19(15-21(26)16-20)24-18(8-7-13-27-24)17-28-30(29,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-16H,17H2,(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425111
PNG
(CHEMBL2312926 | Rac-3-((Diphenylphosphoryl)(Phenyl...)
Show SMILES O=P(C(c1ccccc1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20NOP/c26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24(20-11-4-1-5-12-20)21-13-10-18-25-19-21/h1-19,24H
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425104
PNG
(CHEMBL2312933)
Show SMILES CCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H21N2OP/c1-2-16-22(18-10-9-15-21-17-18)24(23,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-15,17H,2,16H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425110
PNG
(CHEMBL2312927)
Show SMILES O=P(C(N1CCCCC1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N2OP/c26-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23(20-11-10-16-24-19-20)25-17-8-3-9-18-25/h1-2,4-7,10-16,19,23H,3,8-9,17-18H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425112
PNG
(3,3''-((Diphenylphosphoryl)Methylene)Dipyridine | ...)
Show SMILES O=P(C(c1cccnc1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19N2OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23(19-9-7-15-24-17-19)20-10-8-16-25-18-20/h1-18,23H
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425094
PNG
(CHEMBL2312920)
Show SMILES CCCN(c1cccc(c1)C#N)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H21N2OP/c1-2-16-24(20-11-9-10-19(17-20)18-23)26(25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-15,17H,2,16H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428603
PNG
(CHEMBL2338405)
Show SMILES CC(C)(C)NC(=O)NCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H29Cl2N5O2/c1-19(2,3)24-18(28)22-4-5-25-6-8-26(9-7-25)13-17(27)23-16-11-14(20)10-15(21)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,27)(H2,22,24,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425108
PNG
(CHEMBL2312929)
Show SMILES Clc1cccc(c1)-c1ncccc1CNP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20ClN2OP/c25-21-11-7-9-19(17-21)24-20(10-8-16-26-24)18-27-29(28,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h1-17H,18H2,(H,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428599
PNG
(CHEMBL2338409)
Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
Show InChI InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-5-7-25-6-4-13(12-25)11-23-17(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428602
PNG
(CHEMBL2338406)
Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-9-26-7-4-14(5-8-26)13-24-18(27)15-10-16(21)12-17(22)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428601
PNG
(CHEMBL2338407)
Show SMILES CC(C)(C)NC(=O)NCCN1CCCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
Show InChI InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-8-26-7-4-5-14(13-26)12-24-18(27)15-9-16(21)11-17(22)10-15/h9-11,14H,4-8,12-13H2,1-3H3,(H,24,27)(H2,23,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428604
PNG
(CHEMBL2338400)
Show SMILES CC(C)(C)NC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C23H41N5O2/c1-22(2,3)26-21(30)24-4-5-27-6-8-28(9-7-27)16-20(29)25-23-13-17-10-18(14-23)12-19(11-17)15-23/h17-19H,4-16H2,1-3H3,(H,25,29)(H2,24,26,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428596
PNG
(CHEMBL2337979)
Show SMILES CC(C)(C)NC(=O)NCCN1CCCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-6-8-25-7-4-5-16(12-25)23-17(26)13-9-14(20)11-15(21)10-13/h9-11,16H,4-8,12H2,1-3H3,(H,23,26)(H2,22,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50425111
PNG
(CHEMBL2312926 | Rac-3-((Diphenylphosphoryl)(Phenyl...)
Show SMILES O=P(C(c1ccccc1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20NOP/c26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24(20-11-4-1-5-12-20)21-13-10-18-25-19-21/h1-19,24H
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IK channel (unknown origin)


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425101
PNG
(CHEMBL2313226)
Show SMILES O=P(N(Cc1ccccn1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N3OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26(21-11-9-16-24-18-21)19-20-10-7-8-17-25-20/h1-18H,19H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425107
PNG
(CHEMBL2312930)
Show SMILES O=P(NCc1cccnc1-c1cccc(c1)C#N)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N3OP/c26-18-20-9-7-10-21(17-20)25-22(11-8-16-27-25)19-28-30(29,23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-17H,19H2,(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425096
PNG
(CHEMBL2312918)
Show SMILES CCCN(c1ccon1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19N2O2P/c1-2-14-20(18-13-15-22-19-18)23(21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,15H,2,14H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428594
PNG
(CHEMBL2337981)
Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428595
PNG
(CHEMBL2337980)
Show SMILES CC(C)(C)NC(=O)NCCN1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C20H30Cl2N4O3/c1-19(2,3)25-18(28)23-6-9-26-7-4-20(29,5-8-26)13-24-17(27)14-10-15(21)12-16(22)11-14/h10-12,29H,4-9,13H2,1-3H3,(H,24,27)(H2,23,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425100
PNG
(CHEMBL2313227)
Show SMILES COCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H21N2O2P/c1-24-16-15-22(18-9-8-14-21-17-18)25(23,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17H,15-16H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425109
PNG
(CHEMBL2312928)
Show SMILES CCCNC(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23N2OP/c1-2-15-23-21(18-10-9-16-22-17-18)25(24,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-14,16-17,21,23H,2,15H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428597
PNG
(CHEMBL2337978)
Show SMILES CC(C)(C)NC(=O)NCCN1CCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H26Cl2N4O2/c1-18(2,3)23-17(26)21-5-7-24-6-4-15(11-24)22-16(25)12-8-13(19)10-14(20)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,22,25)(H2,21,23,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428598
PNG
(CHEMBL2337977)
Show SMILES CC(C)(C)NC(=O)NCCN1CC(C1)NC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H24Cl2N4O2/c1-17(2,3)22-16(25)20-4-5-23-9-14(10-23)21-15(24)11-6-12(18)8-13(19)7-11/h6-8,14H,4-5,9-10H2,1-3H3,(H,21,24)(H2,20,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428605
PNG
(CHEMBL2338404)
Show SMILES CC(C)(C)CS(=O)(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C23H42N4O3S/c1-22(2,3)17-31(29,30)24-4-5-26-6-8-27(9-7-26)16-21(28)25-23-13-18-10-19(14-23)12-20(11-18)15-23/h18-20,24H,4-17H2,1-3H3,(H,25,28)
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n/an/a 900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425093
PNG
(CHEMBL2312921)
Show SMILES CCCN(c1cccc(c1)S(C)(=O)=O)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24NO3PS/c1-3-17-23(19-11-10-16-22(18-19)28(2,25)26)27(24,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16,18H,3,17H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50428599
PNG
(CHEMBL2338409)
Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
Show InChI InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-5-7-25-6-4-13(12-25)11-23-17(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425097
PNG
(CHEMBL2313230)
Show SMILES CCCN(c1cncnc1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H20N3OP/c1-2-13-22(17-14-20-16-21-15-17)24(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,14-16H,2,13H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50425112
PNG
(3,3''-((Diphenylphosphoryl)Methylene)Dipyridine | ...)
Show SMILES O=P(C(c1cccnc1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19N2OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23(19-9-7-15-24-17-19)20-10-8-16-25-18-20/h1-18,23H
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IK channel (unknown origin)


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428611
PNG
(CHEMBL2337984)
Show SMILES CC(C)(C)NC(=O)CN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16|
Show InChI InChI=1S/C22H38N4O2/c1-21(2,3)23-19(27)14-25-4-6-26(7-5-25)15-20(28)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h16-18H,4-15H2,1-3H3,(H,23,27)(H,24,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428607
PNG
(CHEMBL2338402)
Show SMILES CC(C)(C)NC(=O)NCCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C24H43N5O2/c1-23(2,3)27-22(31)25-5-4-6-28-7-9-29(10-8-28)17-21(30)26-24-14-18-11-19(15-24)13-20(12-18)16-24/h18-20H,4-17H2,1-3H3,(H,26,30)(H2,25,27,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428608
PNG
(CHEMBL2338401)
Show SMILES CC(C)(C)OC(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C23H40N4O3/c1-22(2,3)30-21(29)24-4-5-26-6-8-27(9-7-26)16-20(28)25-23-13-17-10-18(14-23)12-19(11-17)15-23/h17-19H,4-16H2,1-3H3,(H,24,29)(H,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428594
PNG
(CHEMBL2337981)
Show SMILES CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C21H32Cl2N4O3/c1-20(2,3)26-19(30)24-6-9-27-7-4-21(14-28,5-8-27)13-25-18(29)15-10-16(22)12-17(23)11-15/h10-12,28H,4-9,13-14H2,1-3H3,(H,25,29)(H2,24,26,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.2 (unknown origin) by IONWORKS assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425098
PNG
(CHEMBL2313229)
Show SMILES O=P(N(Cc1ccccn1)Cc1ccccn1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H22N3OP/c28-29(23-13-3-1-4-14-23,24-15-5-2-6-16-24)27(19-21-11-7-9-17-25-21)20-22-12-8-10-18-26-22/h1-18H,19-20H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428609
PNG
(CHEMBL2338399)
Show SMILES CC(C)(C)C(=O)NCCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C24H42N4O2/c1-23(2,3)22(30)25-5-4-6-27-7-9-28(10-8-27)17-21(29)26-24-14-18-11-19(15-24)13-20(12-18)16-24/h18-20H,4-17H2,1-3H3,(H,25,30)(H,26,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50428603
PNG
(CHEMBL2338405)
Show SMILES CC(C)(C)NC(=O)NCCN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H29Cl2N5O2/c1-19(2,3)24-18(28)22-4-5-25-6-8-26(9-7-25)13-17(27)23-16-11-14(20)10-15(21)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,27)(H2,22,24,28)
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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 ERG expressed in CHO cells by IONWORKS assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425102
PNG
(CHEMBL2313225)
Show SMILES O=P(N(c1cccnc1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N3OP/c26-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)25(19-9-7-15-23-17-19)20-10-8-16-24-18-20/h1-18H
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50428601
PNG
(CHEMBL2338407)
Show SMILES CC(C)(C)NC(=O)NCCN1CCCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
Show InChI InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-8-26-7-4-5-14(13-26)12-24-18(27)15-9-16(21)11-17(22)10-15/h9-11,14H,4-8,12-13H2,1-3H3,(H,24,27)(H2,23,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50392995
PNG
(CHEMBL2152523)
Show SMILES C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H32N2/c1-5-13-21(14-6-1)23(25-17-9-3-10-18-25)24(22-15-7-2-8-16-22)26-19-11-4-12-20-26/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2/t23-,24-/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 expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50425110
PNG
(CHEMBL2312927)
Show SMILES O=P(C(N1CCCCC1)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N2OP/c26-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23(20-11-10-16-24-19-20)25-17-8-3-9-18-25/h1-2,4-7,10-16,19,23H,3,8-9,17-18H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IK channel (unknown origin)


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425099
PNG
(CHEMBL2313228)
Show SMILES O=P(N(CCCC#N)c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H20N3OP/c22-15-7-8-17-24(19-10-9-16-23-18-19)26(25,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-6,9-14,16,18H,7-8,17H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425090
PNG
(CHEMBL2312924)
Show SMILES O=P(NCc1ccccc1-c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N2OP/c27-28(22-12-3-1-4-13-22,23-14-5-2-6-15-23)26-19-21-10-7-8-16-24(21)20-11-9-17-25-18-20/h1-18H,19H2,(H,26,27)
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n/an/a 2.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428606
PNG
(CHEMBL2338403)
Show SMILES CC(C)(C)S(=O)(=O)CCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C23H41N3O3S/c1-22(2,3)30(28,29)10-4-5-25-6-8-26(9-7-25)17-21(27)24-23-14-18-11-19(15-23)13-20(12-18)16-23/h18-20H,4-17H2,1-3H3,(H,24,27)
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n/an/a 2.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50428597
PNG
(CHEMBL2337978)
Show SMILES CC(C)(C)NC(=O)NCCN1CCC(C1)NC(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H26Cl2N4O2/c1-18(2,3)23-17(26)21-5-7-24-6-4-15(11-24)22-16(25)12-8-13(19)10-14(20)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,22,25)(H2,21,23,26)
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n/an/a 2.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50425094
PNG
(CHEMBL2312920)
Show SMILES CCCN(c1cccc(c1)C#N)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H21N2OP/c1-2-16-24(20-11-9-10-19(17-20)18-23)26(25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-15,17H,2,16H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IK channel (unknown origin)


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50425105
PNG
(CHEMBL2312932)
Show SMILES O=P(NCc1cccnc1-c1cccnc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H20N3OP/c27-28(21-11-3-1-4-12-21,22-13-5-2-6-14-22)26-18-20-10-8-16-25-23(20)19-9-7-15-24-17-19/h1-17H,18H2,(H,26,27)
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n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428610
PNG
(CHEMBL2338398)
Show SMILES CC(C)(C)C(=O)NCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C23H40N4O2/c1-22(2,3)21(29)24-4-5-26-6-8-27(9-7-26)16-20(28)25-23-13-17-10-18(14-23)12-19(11-17)15-23/h17-19H,4-16H2,1-3H3,(H,24,29)(H,25,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50428600
PNG
(CHEMBL2338408)
Show SMILES CC(C)(C)NC(=O)NCCN1CCOC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
Show InChI InChI=1S/C19H28Cl2N4O3/c1-19(2,3)24-18(27)22-4-5-25-6-7-28-16(12-25)11-23-17(26)13-8-14(20)10-15(21)9-13/h8-10,16H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27)
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n/an/a 3.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by IONWORKS assay


Bioorg Med Chem Lett 23: 119-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.140
BindingDB Entry DOI: 10.7270/Q26974X0
More data for this
Ligand-Target Pair
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