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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'brendel' and Initial = 'j'   
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
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179693
PNG
(US9127001, 8b | US9598410, Compound 8b)
Show SMILES CC(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22F2N4O/c1-15(2)24(31)29-9-8-22-20(14-29)23(17-5-3-4-16(10-17)12-27)28-30(22)13-18-6-7-19(25)11-21(18)26/h3-7,10-11,15H,8-9,13-14H2,1-2H3
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n/an/a 19n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179693
PNG
(US9127001, 8b | US9598410, Compound 8b)
Show SMILES CC(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H22F2N4O/c1-15(2)24(31)29-9-8-22-20(14-29)23(17-5-3-4-16(10-17)12-27)28-30(22)13-18-6-7-19(25)11-21(18)26/h3-7,10-11,15H,8-9,13-14H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179694
PNG
(US9127001, 8c | US9598410, Compound 8c)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C24H20F2N4O/c25-19-7-6-18(21(26)11-19)13-30-22-8-9-29(24(31)16-4-5-16)14-20(22)23(28-30)17-3-1-2-15(10-17)12-27/h1-3,6-7,10-11,16H,4-5,8-9,13-14H2
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n/an/a 47n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179694
PNG
(US9127001, 8c | US9598410, Compound 8c)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C24H20F2N4O/c25-19-7-6-18(21(26)11-19)13-30-22-8-9-29(24(31)16-4-5-16)14-20(22)23(28-30)17-3-1-2-15(10-17)12-27/h1-3,6-7,10-11,16H,4-5,8-9,13-14H2
PDB

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n/an/a 47n/an/an/an/an/an/a



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US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106236
PNG
((3R,4S)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179702
PNG
(US9127001, 8i | US9598410, Compound 8i)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CCC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C25H22F2N4O/c26-20-8-7-19(22(27)12-20)14-31-23-9-10-30(25(32)17-4-2-5-17)15-21(23)24(29-31)18-6-1-3-16(11-18)13-28/h1,3,6-8,11-12,17H,2,4-5,9-10,14-15H2
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n/an/a 64n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179702
PNG
(US9127001, 8i | US9598410, Compound 8i)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CCC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C25H22F2N4O/c26-20-8-7-19(22(27)12-20)14-31-23-9-10-30(25(32)17-4-2-5-17)15-21(23)24(29-31)18-6-1-3-16(11-18)13-28/h1,3,6-8,11-12,17H,2,4-5,9-10,14-15H2
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n/an/a 64n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179635
PNG
(US9127001, 6n | US9598410, Compound 6n)
Show SMILES CC(=O)N1C2CCC1c1c(C2)n(Cc2ccc(F)cc2F)nc1-c1cccc(c1)C#N
Show InChI InChI=1/C24H20F2N4O/c1-14(31)30-19-7-8-21(30)23-22(11-19)29(13-17-5-6-18(25)10-20(17)26)28-24(23)16-4-2-3-15(9-16)12-27/h2-6,9-10,19,21H,7-8,11,13H2,1H3
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n/an/a 91n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179635
PNG
(US9127001, 6n | US9598410, Compound 6n)
Show SMILES CC(=O)N1C2CCC1c1c(C2)n(Cc2ccc(F)cc2F)nc1-c1cccc(c1)C#N
Show InChI InChI=1/C24H20F2N4O/c1-14(31)30-19-7-8-21(30)23-22(11-19)29(13-17-5-6-18(25)10-20(17)26)28-24(23)16-4-2-3-15(9-16)12-27/h2-6,9-10,19,21H,7-8,11,13H2,1H3
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US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179623
PNG
(US9127001, 6a | US9598410, Compound 6a)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H18F2N4O/c1-14(29)27-8-7-21-19(13-27)22(16-4-2-3-15(9-16)11-25)26-28(21)12-17-5-6-18(23)10-20(17)24/h2-6,9-10H,7-8,12-13H2,1H3
PDB

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n/an/a 95n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179623
PNG
(US9127001, 6a | US9598410, Compound 6a)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H18F2N4O/c1-14(29)27-8-7-21-19(13-27)22(16-4-2-3-15(9-16)11-25)26-28(21)12-17-5-6-18(23)10-20(17)24/h2-6,9-10H,7-8,12-13H2,1H3
PDB

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n/an/a 95n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179629
PNG
(US9127001, 6g | US9598410, Compound 6g)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O/c1-13(30)28-10-9-18-16(12-28)20(17-3-2-4-19(26-17)21(23,24)25)27-29(18)11-14-5-7-15(22)8-6-14/h2-8H,9-12H2,1H3
PDB

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n/an/a 99.5n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179629
PNG
(US9127001, 6g | US9598410, Compound 6g)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O/c1-13(30)28-10-9-18-16(12-28)20(17-3-2-4-19(26-17)21(23,24)25)27-29(18)11-14-5-7-15(22)8-6-14/h2-8H,9-12H2,1H3
PDB

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n/an/a 99.5n/an/an/an/an/an/a



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US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179659
PNG
(US9127001, 6am | US9598410, Compound 6am)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(cc1)C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O/c1-15(31)29-10-9-21-20(14-29)22(18-3-2-4-19(11-18)23(24,25)26)28-30(21)13-17-7-5-16(12-27)6-8-17/h2-8,11H,9-10,13-14H2,1H3
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n/an/a 114n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179659
PNG
(US9127001, 6am | US9598410, Compound 6am)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(cc1)C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O/c1-15(31)29-10-9-21-20(14-29)22(18-3-2-4-19(11-18)23(24,25)26)28-30(21)13-17-7-5-16(12-27)6-8-17/h2-8,11H,9-10,13-14H2,1H3
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n/an/a 114n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50099582
PNG
((3R,4S)N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluor...)
Show SMILES CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179708
PNG
(US9127001, 8o | US9598410, Compound 8o)
Show SMILES CC(C)(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H24F2N4O/c1-25(2,3)24(32)30-10-9-22-20(15-30)23(17-6-4-5-16(11-17)13-28)29-31(22)14-18-7-8-19(26)12-21(18)27/h4-8,11-12H,9-10,14-15H2,1-3H3
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n/an/a 131n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179708
PNG
(US9127001, 8o | US9598410, Compound 8o)
Show SMILES CC(C)(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H24F2N4O/c1-25(2,3)24(32)30-10-9-22-20(15-30)23(17-6-4-5-16(11-17)13-28)29-31(22)14-18-7-8-19(26)12-21(18)27/h4-8,11-12H,9-10,14-15H2,1-3H3
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n/an/a 131n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50123521
PNG
(CHEMBL317791 | [2'-(2-Pyridin-2-yl-ethylcarbamoyl)...)
Show SMILES C[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C30H29N3O3/c1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25/h2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35)/t22-/m0/s1
PDB

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n/an/a 160n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human voltage-gated potassium channel subunit Kv1.5 expressed in Xenopus oocytes


J Med Chem 46: 486-98 (2003)


Article DOI: 10.1021/jm0210461
BindingDB Entry DOI: 10.7270/Q2RJ4HTF
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179624
PNG
(US9127001, 6b | US9598410, Compound 6b)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(Cl)nc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N4O/c1-13(30)28-8-7-18-17(12-28)20(15-3-2-4-16(9-15)21(23,24)25)27-29(18)11-14-5-6-19(22)26-10-14/h2-6,9-10H,7-8,11-12H2,1H3
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n/an/a 172n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179624
PNG
(US9127001, 6b | US9598410, Compound 6b)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(Cl)nc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N4O/c1-13(30)28-8-7-18-17(12-28)20(15-3-2-4-16(9-15)21(23,24)25)27-29(18)11-14-5-6-19(22)26-10-14/h2-6,9-10H,7-8,11-12H2,1H3
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n/an/a 172n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179660
PNG
(US9127001, 6an | US9598410, Compound 6an)
Show SMILES CC(c1ccc(F)cc1)n1nc(c2CN(CCc12)C(C)=O)-c1cccc(c1)C#N
Show InChI InChI=1/C23H21FN4O/c1-15(18-6-8-20(24)9-7-18)28-22-10-11-27(16(2)29)14-21(22)23(26-28)19-5-3-4-17(12-19)13-25/h3-9,12,15H,10-11,14H2,1-2H3
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Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179660
PNG
(US9127001, 6an | US9598410, Compound 6an)
Show SMILES CC(c1ccc(F)cc1)n1nc(c2CN(CCc12)C(C)=O)-c1cccc(c1)C#N
Show InChI InChI=1/C23H21FN4O/c1-15(18-6-8-20(24)9-7-18)28-22-10-11-27(16(2)29)14-21(22)23(26-28)19-5-3-4-17(12-19)13-25/h3-9,12,15H,10-11,14H2,1-2H3
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US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179630
PNG
(US9127001, 6h | US9598410, Compound 6h)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C21H17F5N4O/c1-12(31)29-7-5-19-16(11-29)20(18-8-14(4-6-27-18)21(24,25)26)28-30(19)10-13-2-3-15(22)9-17(13)23/h2-4,6,8-9H,5,7,10-11H2,1H3
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US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179630
PNG
(US9127001, 6h | US9598410, Compound 6h)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C21H17F5N4O/c1-12(31)29-7-5-19-16(11-29)20(18-8-14(4-6-27-18)21(24,25)26)28-30(19)10-13-2-3-15(22)9-17(13)23/h2-4,6,8-9H,5,7,10-11H2,1H3
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Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50123521
PNG
(CHEMBL317791 | [2'-(2-Pyridin-2-yl-ethylcarbamoyl)...)
Show SMILES C[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C30H29N3O3/c1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25/h2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35)/t22-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibitory effect against human voltage-gated potassium channel subunit Kv1.5 expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 2823-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.057
BindingDB Entry DOI: 10.7270/Q2RR1XPJ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106233
PNG
(CHEMBL124308 | N-(6-Benzyloxy-3-hydroxy-2,2-dimeth...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12)S(C)(=O)=O
Show InChI InChI=1S/C20H25NO5S/c1-20(2)19(22)18(21(3)27(4,23)24)16-12-15(10-11-17(16)26-20)25-13-14-8-6-5-7-9-14/h5-12,18-19,22H,13H2,1-4H3
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179625
PNG
(US9127001, 6c | US9598410, Compound 6c)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1cnccc1Cl)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N4O/c1-13(30)28-8-6-19-17(12-28)20(14-3-2-4-16(9-14)21(23,24)25)27-29(19)11-15-10-26-7-5-18(15)22/h2-5,7,9-10H,6,8,11-12H2,1H3
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US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179625
PNG
(US9127001, 6c | US9598410, Compound 6c)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1cnccc1Cl)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N4O/c1-13(30)28-8-6-19-17(12-28)20(14-3-2-4-16(9-14)21(23,24)25)27-29(19)11-15-10-26-7-5-18(15)22/h2-5,7,9-10H,6,8,11-12H2,1H3
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US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179631
PNG
(US9127001, 6i | US9598410, Compound 6i)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H17F5N4O/c1-12(31)29-8-7-18-15(11-29)20(17-3-2-4-19(27-17)21(24,25)26)28-30(18)10-13-5-6-14(22)9-16(13)23/h2-6,9H,7-8,10-11H2,1H3
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US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179631
PNG
(US9127001, 6i | US9598410, Compound 6i)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C21H17F5N4O/c1-12(31)29-8-7-18-15(11-29)20(17-3-2-4-19(27-17)21(24,25)26)28-30(18)10-13-5-6-14(22)9-16(13)23/h2-6,9H,7-8,10-11H2,1H3
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US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106231
PNG
(CHEMBL340910 | N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179713
PNG
(US9127001, 8t | US9598410, Compound 8t)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)c2ccccn2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C26H19F2N5O/c27-20-8-7-19(22(28)13-20)15-33-24-9-11-32(26(34)23-6-1-2-10-30-23)16-21(24)25(31-33)18-5-3-4-17(12-18)14-29/h1-8,10,12-13H,9,11,15-16H2
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US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179713
PNG
(US9127001, 8t | US9598410, Compound 8t)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)c2ccccn2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C26H19F2N5O/c27-20-8-7-19(22(28)13-20)15-33-24-9-11-32(26(34)23-6-1-2-10-30-23)16-21(24)25(31-33)18-5-3-4-17(12-18)14-29/h1-8,10,12-13H,9,11,15-16H2
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US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106232
PNG
(CHEMBL125307 | N-(6-Butoxy-3-hydroxy-2,2-dimethyl-...)
Show SMILES CCCCOc1ccc2OC(C)(C)C(O)C(N(C)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C17H27NO5S/c1-6-7-10-22-12-8-9-14-13(11-12)15(18(4)24(5,20)21)16(19)17(2,3)23-14/h8-9,11,15-16,19H,6-7,10H2,1-5H3
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179683
PNG
(US9127001, 6bl | US9127001, 6bm | US9598410, Compo...)
Show SMILES CCC(c1ccc(Cl)cc1)n1nc(c2CN(CCc12)C(C)=O)-c1ccc(F)cc1
Show InChI InChI=1/C23H23ClFN3O/c1-3-21(16-4-8-18(24)9-5-16)28-22-12-13-27(15(2)29)14-20(22)23(26-28)17-6-10-19(25)11-7-17/h4-11,21H,3,12-14H2,1-2H3
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US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179683
PNG
(US9127001, 6bl | US9127001, 6bm | US9598410, Compo...)
Show SMILES CCC(c1ccc(Cl)cc1)n1nc(c2CN(CCc12)C(C)=O)-c1ccc(F)cc1
Show InChI InChI=1/C23H23ClFN3O/c1-3-21(16-4-8-18(24)9-5-16)28-22-12-13-27(15(2)29)14-20(22)23(26-28)17-6-10-19(25)11-7-17/h4-11,21H,3,12-14H2,1-2H3
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US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179661
PNG
(US9127001, 6ao | US9598410, Compound 6ao)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C(C1CC1)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1/C24H23F2N3O/c1-15(30)28-13-12-22-21(14-28)23(16-4-8-19(25)9-5-16)27-29(22)24(17-2-3-17)18-6-10-20(26)11-7-18/h4-11,17,24H,2-3,12-14H2,1H3
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US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179661
PNG
(US9127001, 6ao | US9598410, Compound 6ao)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2C(C1CC1)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1/C24H23F2N3O/c1-15(30)28-13-12-22-21(14-28)23(16-4-8-19(25)9-5-16)27-29(22)24(17-2-3-17)18-6-10-20(26)11-7-18/h4-11,17,24H,2-3,12-14H2,1H3
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US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179657
PNG
(US9127001, 6ak | US9598410, Compound 6ak)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1ccc(Cl)s1
Show InChI InChI=1S/C19H16ClF2N3OS/c1-11(26)24-7-6-16-14(10-24)19(17-4-5-18(20)27-17)23-25(16)9-12-2-3-13(21)8-15(12)22/h2-5,8H,6-7,9-10H2,1H3
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US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179657
PNG
(US9127001, 6ak | US9598410, Compound 6ak)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1ccc(Cl)s1
Show InChI InChI=1S/C19H16ClF2N3OS/c1-11(26)24-7-6-16-14(10-24)19(17-4-5-18(20)27-17)23-25(16)9-12-2-3-13(21)8-15(12)22/h2-5,8H,6-7,9-10H2,1H3
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US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179692
PNG
(US9127001, 8a | US9598410, Compound 8a)
Show SMILES CC1(COC1)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H22F2N4O2/c1-25(14-33-15-25)24(32)30-8-7-22-20(13-30)23(17-4-2-3-16(9-17)11-28)29-31(22)12-18-5-6-19(26)10-21(18)27/h2-6,9-10H,7-8,12-15H2,1H3
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US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179692
PNG
(US9127001, 8a | US9598410, Compound 8a)
Show SMILES CC1(COC1)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H22F2N4O2/c1-25(14-33-15-25)24(32)30-8-7-22-20(13-30)23(17-4-2-3-16(9-17)11-28)29-31(22)12-18-5-6-19(26)10-21(18)27/h2-6,9-10H,7-8,12-15H2,1H3
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n/an/a 276n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179662
PNG
(US9127001, 6ap | US9598410, Compound 6ap)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H18F5N3O2/c1-13(31)29-8-7-20-18(12-29)21(14-3-2-4-17(9-14)32-22(25,26)27)28-30(20)11-15-5-6-16(23)10-19(15)24/h2-6,9-10H,7-8,11-12H2,1H3
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n/an/a 285n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179662
PNG
(US9127001, 6ap | US9598410, Compound 6ap)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H18F5N3O2/c1-13(31)29-8-7-20-18(12-29)21(14-3-2-4-17(9-14)32-22(25,26)27)28-30(20)11-15-5-6-16(23)10-19(15)24/h2-6,9-10H,7-8,11-12H2,1H3
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n/an/a 285n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50123507
PNG
(2'-[(3-Phenyl-butyrylamino)-methyl]-biphenyl-2-car...)
Show SMILES C[C@H](CC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C31H31N3O2/c1-23(24-11-3-2-4-12-24)21-30(35)34-22-25-13-5-6-15-27(25)28-16-7-8-17-29(28)31(36)33-20-18-26-14-9-10-19-32-26/h2-17,19,23H,18,20-22H2,1H3,(H,33,36)(H,34,35)/t23-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human voltage-gated potassium channel subunit Kv1.5 expressed in Xenopus oocytes


J Med Chem 46: 486-98 (2003)


Article DOI: 10.1021/jm0210461
BindingDB Entry DOI: 10.7270/Q2RJ4HTF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50123525
PNG
(CHEMBL146482 | [2'-(1-Carbamoyl-3-methyl-butylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C28H31N3O4/c1-19(2)16-25(26(29)32)31-27(33)24-15-9-8-14-23(24)22-13-7-6-12-21(22)17-30-28(34)35-18-20-10-4-3-5-11-20/h3-15,19,25H,16-18H2,1-2H3,(H2,29,32)(H,30,34)(H,31,33)/t25-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human voltage-gated potassium channel subunit Kv1.5 expressed in Xenopus oocytes


J Med Chem 46: 486-98 (2003)


Article DOI: 10.1021/jm0210461
BindingDB Entry DOI: 10.7270/Q2RJ4HTF
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179663
PNG
(US9127001, 6aq | US9598410, Compound 6aq)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1c(F)cccc1F)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18F3N3O/c1-13(28)26-10-9-20-17(11-26)21(14-5-7-15(22)8-6-14)25-27(20)12-16-18(23)3-2-4-19(16)24/h2-8H,9-12H2,1H3
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n/an/a 359n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179663
PNG
(US9127001, 6aq | US9598410, Compound 6aq)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1c(F)cccc1F)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18F3N3O/c1-13(28)26-10-9-20-17(11-26)21(14-5-7-15(22)8-6-14)25-27(20)12-16-18(23)3-2-4-19(16)24/h2-8H,9-12H2,1H3
PDB

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UniProtKB/SwissProt

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n/an/a 359n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM179725
PNG
(US9127001, 12a | US9598410, Compound 12a)
Show SMILES CNC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H19F2N5O/c1-26-22(30)28-8-7-20-18(13-28)21(15-4-2-3-14(9-15)11-25)27-29(20)12-16-5-6-17(23)10-19(16)24/h2-6,9-10H,7-8,12-13H2,1H3,(H,26,30)
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n/an/a 380n/an/an/an/an/an/a



SANOFI

US Patent




US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
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