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PubMed code 29752182

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
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
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273013
PNG
(CHEMBL4129456)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)=C2)N1CCC[C@@H](N)C1 |r,c:21|
Show InChI InChI=1S/C22H28FN3O/c1-22-9-8-17(23)11-16(22)12-20(26-10-2-3-18(25)14-26)21(22)27-19-6-4-15(13-24)5-7-19/h4-7,11,16,18,20-21H,2-3,8-10,12,14,25H2,1H3/t16-,18+,20+,21-,22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273116
PNG
(CHEMBL4129805)
Show SMILES [H][C@@]12CC(=O)[C@@]([H])(C1)[C@]1([H])[C@@H](Oc3ccc(cc3)C#N)[C@@H](C[C@]21[H])N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H27N3O2/c23-11-13-3-5-16(6-4-13)27-22-19(25-7-1-2-15(24)12-25)10-17-14-8-18(21(17)22)20(26)9-14/h3-6,14-15,17-19,21-22H,1-2,7-10,12,24H2/t14-,15+,17+,18+,19+,21+,22-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273009
PNG
(CHEMBL4129809)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273012
PNG
(CHEMBL4127600)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(=O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-17,20-21H,2-3,8-12,14,24H2,1H3/t16-,17+,20+,21-,22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273111
PNG
(CHEMBL4126041)
Show SMILES [H][C@@]12CCC(=O)[C@]1([H])C[C@H]([C@@H]2Oc1ccc(cc1)C#N)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C20H25N3O2/c21-11-13-3-5-15(6-4-13)25-20-16-7-8-19(24)17(16)10-18(20)23-9-1-2-14(22)12-23/h3-6,14,16-18,20H,1-2,7-10,12,22H2/t14-,16-,17-,18-,20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273082
PNG
(CHEMBL4128079)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)(F)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H29F2N3O/c1-21-8-9-22(23,24)12-16(21)11-19(27-10-2-3-17(26)14-27)20(21)28-18-6-4-15(13-25)5-7-18/h4-7,16-17,19-20H,2-3,8-12,14,26H2,1H3/t16-,17-,19-,20+,21+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50272971
PNG
(CHEMBL4128782)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC\C(C2)=N/OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H32N4O2/c1-23-10-9-19(26-28-2)12-17(23)13-21(27-11-3-4-18(25)15-27)22(23)29-20-7-5-16(14-24)6-8-20/h5-8,17-18,21-22H,3-4,9-13,15,25H2,1-2H3/b26-19+/t17-,18+,21+,22-,23-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273048
PNG
(CHEMBL4127190)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCCC2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H31N3O/c1-22-11-3-2-5-17(22)13-20(25-12-4-6-18(24)15-25)21(22)26-19-9-7-16(14-23)8-10-19/h7-10,17-18,20-21H,2-6,11-13,15,24H2,1H3/t17-,18+,20+,21-,22-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50272972
PNG
(CHEMBL4125756)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H31N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-18,20-21,26H,2-3,8-12,14,24H2,1H3/t16-,17+,18+,20+,21-,22-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273050
PNG
(CHEMBL4126989)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@H](C2)OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-23-10-9-20(27-2)12-17(23)13-21(26-11-3-4-18(25)15-26)22(23)28-19-7-5-16(14-24)6-8-19/h5-8,17-18,20-22H,3-4,9-13,15,25H2,1-2H3/t17-,18+,20+,21+,22-,23-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273084
PNG
(CHEMBL4130214)
Show SMILES [H][C@@]12CC(=O)[C@]1([H])C[C@H]([C@@H]2Oc1ccc(cc1)C#N)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C19H23N3O2/c20-10-12-3-5-14(6-4-12)24-19-16-9-18(23)15(16)8-17(19)22-7-1-2-13(21)11-22/h3-6,13,15-17,19H,1-2,7-9,11,21H2/t13-,15-,16-,17-,19-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50272977
PNG
(CHEMBL4129002)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](C2)C(F)F)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H31F2N3O/c1-23-9-8-16(22(24)25)11-17(23)12-20(28-10-2-3-18(27)14-28)21(23)29-19-6-4-15(13-26)5-7-19/h4-7,16-18,20-22H,2-3,8-12,14,27H2,1H3/t16-,17-,18+,20+,21-,23-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273049
PNG
(CHEMBL4126938)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(C)(O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-22(27)9-10-23(2)17(13-22)12-20(26-11-3-4-18(25)15-26)21(23)28-19-7-5-16(14-24)6-8-19/h5-8,17-18,20-21,27H,3-4,9-13,15,25H2,1-2H3/t17-,18-,20-,21+,22?,23+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273083
PNG
(CHEMBL4126435)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC\C(C2)=C/C(=O)N(C)C)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C26H36N4O2/c1-26-11-10-19(14-24(31)29(2)3)13-20(26)15-23(30-12-4-5-21(28)17-30)25(26)32-22-8-6-18(16-27)7-9-22/h6-9,14,20-21,23,25H,4-5,10-13,15,17,28H2,1-3H3/b19-14+/t20-,21+,23+,25-,26-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273011
PNG
(CHEMBL4126528)
Show SMILES [H][C@@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@]1(C)CCC(=O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-17,20-21H,2-3,8-12,14,24H2,1H3/t16-,17-,20-,21+,22-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273000
PNG
(CHEMBL4127992)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](C2)OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-23-10-9-20(27-2)12-17(23)13-21(26-11-3-4-18(25)15-26)22(23)28-19-7-5-16(14-24)6-8-19/h5-8,17-18,20-22H,3-4,9-13,15,25H2,1-2H3/t17-,18+,20-,21+,22-,23-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50272970
PNG
(CHEMBL4129133)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1CCC[C@H]1Oc1ccc(cc1)C#N |r|
Show InChI InChI=1S/C17H23N3O/c18-11-13-6-8-15(9-7-13)21-17-5-1-4-16(17)20-10-2-3-14(19)12-20/h6-9,14,16-17H,1-5,10,12,19H2/t14-,16-,17-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273010
PNG
(CHEMBL4129913)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@H](O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H31N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-18,20-21,26H,2-3,8-12,14,24H2,1H3/t16-,17+,18-,20+,21-,22-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273081
PNG
(CHEMBL4125839)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1CCC[C@H]1Oc1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C17H22ClN3O/c18-14-9-12(10-19)6-7-16(14)22-17-5-1-4-15(17)21-8-2-3-13(20)11-21/h6-7,9,13,15,17H,1-5,8,11,20H2/t13-,15-,17-/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Mus musculus)
BDBM21164
PNG
(1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propo...)
Show SMILES COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H26N2O3/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19/h5-14,17,22H,3-4,15-16H2,1-2H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse TRPC6


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273048
PNG
(CHEMBL4127190)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCCC2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H31N3O/c1-22-11-3-2-5-17(22)13-20(25-12-4-6-18(24)15-25)21(22)26-19-9-7-16(14-23)8-10-19/h7-10,17-18,20-21H,2-6,11-13,15,24H2,1H3/t17-,18+,20+,21-,22-/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273013
PNG
(CHEMBL4129456)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)=C2)N1CCC[C@@H](N)C1 |r,c:21|
Show InChI InChI=1S/C22H28FN3O/c1-22-9-8-17(23)11-16(22)12-20(26-10-2-3-18(25)14-26)21(22)27-19-6-4-15(13-24)5-7-19/h4-7,11,16,18,20-21H,2-3,8-10,12,14,25H2,1H3/t16-,18+,20+,21-,22-/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273082
PNG
(CHEMBL4128079)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)(F)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H29F2N3O/c1-21-8-9-22(23,24)12-16(21)11-19(27-10-2-3-17(26)14-27)20(21)28-18-6-4-15(13-25)5-7-18/h4-7,16-17,19-20H,2-3,8-12,14,26H2,1H3/t16-,17-,19-,20+,21+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50272977
PNG
(CHEMBL4129002)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](C2)C(F)F)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H31F2N3O/c1-23-9-8-16(22(24)25)11-17(23)12-20(28-10-2-3-18(27)14-28)21(23)29-19-6-4-15(13-26)5-7-19/h4-7,16-18,20-22H,2-3,8-12,14,27H2,1H3/t16-,17-,18+,20+,21-,23-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273116
PNG
(CHEMBL4129805)
Show SMILES [H][C@@]12CC(=O)[C@@]([H])(C1)[C@]1([H])[C@@H](Oc3ccc(cc3)C#N)[C@@H](C[C@]21[H])N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H27N3O2/c23-11-13-3-5-16(6-4-13)27-22-19(25-7-1-2-15(24)12-25)10-17-14-8-18(21(17)22)20(26)9-14/h3-6,14-15,17-19,21-22H,1-2,7-10,12,24H2/t14-,15+,17+,18+,19+,21+,22-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273048
PNG
(CHEMBL4127190)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCCC2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H31N3O/c1-22-11-3-2-5-17(22)13-20(25-12-4-6-18(24)15-25)21(22)26-19-9-7-16(14-23)8-10-19/h7-10,17-18,20-21H,2-6,11-13,15,24H2,1H3/t17-,18+,20+,21-,22-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50272971
PNG
(CHEMBL4128782)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC\C(C2)=N/OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H32N4O2/c1-23-10-9-19(26-28-2)12-17(23)13-21(27-11-3-4-18(25)15-27)22(23)29-20-7-5-16(14-24)6-8-20/h5-8,17-18,21-22H,3-4,9-13,15,25H2,1-2H3/b26-19+/t17-,18+,21+,22-,23-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273082
PNG
(CHEMBL4128079)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)(F)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H29F2N3O/c1-21-8-9-22(23,24)12-16(21)11-19(27-10-2-3-17(26)14-27)20(21)28-18-6-4-15(13-25)5-7-18/h4-7,16-17,19-20H,2-3,8-12,14,26H2,1H3/t16-,17-,19-,20+,21+/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50272977
PNG
(CHEMBL4129002)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](C2)C(F)F)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H31F2N3O/c1-23-9-8-16(22(24)25)11-17(23)12-20(28-10-2-3-18(27)14-28)21(23)29-19-6-4-15(13-26)5-7-19/h4-7,16-18,20-22H,2-3,8-12,14,27H2,1H3/t16-,17-,18+,20+,21-,23-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273000
PNG
(CHEMBL4127992)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](C2)OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-23-10-9-20(27-2)12-17(23)13-21(26-11-3-4-18(25)15-26)22(23)28-19-7-5-16(14-24)6-8-19/h5-8,17-18,20-22H,3-4,9-13,15,25H2,1-2H3/t17-,18+,20-,21+,22-,23-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273083
PNG
(CHEMBL4126435)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC\C(C2)=C/C(=O)N(C)C)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C26H36N4O2/c1-26-11-10-19(14-24(31)29(2)3)13-20(26)15-23(30-12-4-5-21(28)17-30)25(26)32-22-8-6-18(16-27)7-9-22/h6-9,14,20-21,23,25H,4-5,10-13,15,17,28H2,1-3H3/b19-14+/t20-,21+,23+,25-,26-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273050
PNG
(CHEMBL4126989)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@H](C2)OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-23-10-9-20(27-2)12-17(23)13-21(26-11-3-4-18(25)15-26)22(23)28-19-7-5-16(14-24)6-8-19/h5-8,17-18,20-22H,3-4,9-13,15,25H2,1-2H3/t17-,18+,20+,21+,22-,23-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273013
PNG
(CHEMBL4129456)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)=C2)N1CCC[C@@H](N)C1 |r,c:21|
Show InChI InChI=1S/C22H28FN3O/c1-22-9-8-17(23)11-16(22)12-20(26-10-2-3-18(25)14-26)21(22)27-19-6-4-15(13-24)5-7-19/h4-7,11,16,18,20-21H,2-3,8-10,12,14,25H2,1H3/t16-,18+,20+,21-,22-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273111
PNG
(CHEMBL4126041)
Show SMILES [H][C@@]12CCC(=O)[C@]1([H])C[C@H]([C@@H]2Oc1ccc(cc1)C#N)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C20H25N3O2/c21-11-13-3-5-15(6-4-13)25-20-16-7-8-19(24)17(16)10-18(20)23-9-1-2-14(22)12-23/h3-6,14,16-18,20H,1-2,7-10,12,22H2/t14-,16-,17-,18-,20-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273050
PNG
(CHEMBL4126989)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@H](C2)OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-23-10-9-20(27-2)12-17(23)13-21(26-11-3-4-18(25)15-26)22(23)28-19-7-5-16(14-24)6-8-19/h5-8,17-18,20-22H,3-4,9-13,15,25H2,1-2H3/t17-,18+,20+,21+,22-,23-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50272971
PNG
(CHEMBL4128782)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC\C(C2)=N/OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H32N4O2/c1-23-10-9-19(26-28-2)12-17(23)13-21(27-11-3-4-18(25)15-27)22(23)29-20-7-5-16(14-24)6-8-20/h5-8,17-18,21-22H,3-4,9-13,15,25H2,1-2H3/b26-19+/t17-,18+,21+,22-,23-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273010
PNG
(CHEMBL4129913)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@H](O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H31N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-18,20-21,26H,2-3,8-12,14,24H2,1H3/t16-,17+,18-,20+,21-,22-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273011
PNG
(CHEMBL4126528)
Show SMILES [H][C@@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@]1(C)CCC(=O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-17,20-21H,2-3,8-12,14,24H2,1H3/t16-,17-,20-,21+,22-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50272972
PNG
(CHEMBL4125756)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H31N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-18,20-21,26H,2-3,8-12,14,24H2,1H3/t16-,17+,18+,20+,21-,22-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273000
PNG
(CHEMBL4127992)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](C2)OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-23-10-9-20(27-2)12-17(23)13-21(26-11-3-4-18(25)15-26)22(23)28-19-7-5-16(14-24)6-8-19/h5-8,17-18,20-22H,3-4,9-13,15,25H2,1-2H3/t17-,18+,20-,21+,22-,23-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50272972
PNG
(CHEMBL4125756)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@@H](O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H31N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-18,20-21,26H,2-3,8-12,14,24H2,1H3/t16-,17+,18+,20+,21-,22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273011
PNG
(CHEMBL4126528)
Show SMILES [H][C@@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@]1(C)CCC(=O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-17,20-21H,2-3,8-12,14,24H2,1H3/t16-,17-,20-,21+,22-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273083
PNG
(CHEMBL4126435)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC\C(C2)=C/C(=O)N(C)C)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C26H36N4O2/c1-26-11-10-19(14-24(31)29(2)3)13-20(26)15-23(30-12-4-5-21(28)17-30)25(26)32-22-8-6-18(16-27)7-9-22/h6-9,14,20-21,23,25H,4-5,10-13,15,17,28H2,1-3H3/b19-14+/t20-,21+,23+,25-,26-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273084
PNG
(CHEMBL4130214)
Show SMILES [H][C@@]12CC(=O)[C@]1([H])C[C@H]([C@@H]2Oc1ccc(cc1)C#N)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C19H23N3O2/c20-10-12-3-5-14(6-4-12)24-19-16-9-18(23)15(16)8-17(19)22-7-1-2-13(21)11-22/h3-6,13,15-17,19H,1-2,7-9,11,21H2/t13-,15-,16-,17-,19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273116
PNG
(CHEMBL4129805)
Show SMILES [H][C@@]12CC(=O)[C@@]([H])(C1)[C@]1([H])[C@@H](Oc3ccc(cc3)C#N)[C@@H](C[C@]21[H])N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H27N3O2/c23-11-13-3-5-16(6-4-13)27-22-19(25-7-1-2-15(24)12-25)10-17-14-8-18(21(17)22)20(26)9-14/h3-6,14-15,17-19,21-22H,1-2,7-10,12,24H2/t14-,15+,17+,18+,19+,21+,22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273111
PNG
(CHEMBL4126041)
Show SMILES [H][C@@]12CCC(=O)[C@]1([H])C[C@H]([C@@H]2Oc1ccc(cc1)C#N)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C20H25N3O2/c21-11-13-3-5-15(6-4-13)25-20-16-7-8-19(24)17(16)10-18(20)23-9-1-2-14(22)12-23/h3-6,14,16-18,20H,1-2,7-10,12,22H2/t14-,16-,17-,18-,20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273084
PNG
(CHEMBL4130214)
Show SMILES [H][C@@]12CC(=O)[C@]1([H])C[C@H]([C@@H]2Oc1ccc(cc1)C#N)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C19H23N3O2/c20-10-12-3-5-14(6-4-12)24-19-16-9-18(23)15(16)8-17(19)22-7-1-2-13(21)11-22/h3-6,13,15-17,19H,1-2,7-9,11,21H2/t13-,15-,16-,17-,19-/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273012
PNG
(CHEMBL4127600)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(=O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-17,20-21H,2-3,8-12,14,24H2,1H3/t16-,17+,20+,21-,22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50273049
PNG
(CHEMBL4126938)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(C)(O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-22(27)9-10-23(2)17(13-22)12-20(26-11-3-4-18(25)15-26)21(23)28-19-7-5-16(14-24)6-8-19/h5-8,17-18,20-21,27H,3-4,9-13,15,25H2,1-2H3/t17-,18-,20-,21+,22?,23+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273049
PNG
(CHEMBL4126938)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(C)(O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H33N3O2/c1-22(27)9-10-23(2)17(13-22)12-20(26-11-3-4-18(25)15-26)21(23)28-19-7-5-16(14-24)6-8-19/h5-8,17-18,20-21,27H,3-4,9-13,15,25H2,1-2H3/t17-,18-,20-,21+,22?,23+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273010
PNG
(CHEMBL4129913)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CC[C@H](O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H31N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-18,20-21,26H,2-3,8-12,14,24H2,1H3/t16-,17+,18-,20+,21-,22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50273012
PNG
(CHEMBL4127600)
Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(=O)C2)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-22-9-8-18(26)11-16(22)12-20(25-10-2-3-17(24)14-25)21(22)27-19-6-4-15(13-23)5-7-19/h4-7,16-17,20-21H,2-3,8-12,14,24H2,1H3/t16-,17+,20+,21-,22-/m0/s1
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%