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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'nakako' and Initial = 't'   
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50569110
PNG
(CHEMBL4852403)
Show SMILES CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:4,t:8|
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35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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44n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50569112
PNG
(CHEMBL4865663)
Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(C)cc12 |c:4,t:8|
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57n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50122054
PNG
(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50569113
PNG
(CHEMBL4868181)
Show SMILES CCc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17|
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90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50569111
PNG
(CHEMBL4873426)
Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |c:4,t:8|
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95n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569117
PNG
(CHEMBL4875709)
Show SMILES CN1CCC(=CC1)C1=Nc2cc(F)ccc2Nc2ccc(Cl)cc12 |c:4,t:8|
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108n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569113
PNG
(CHEMBL4868181)
Show SMILES CCc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17|
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274n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569116
PNG
(CHEMBL4855524)
Show SMILES COc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17|
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329n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569114
PNG
(CHEMBL4853957)
Show SMILES CCN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:5,t:9|
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340n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50547398
PNG
(CHEMBL4748915)
Show SMILES CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |c:4,t:8|
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380n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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389n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569110
PNG
(CHEMBL4852403)
Show SMILES CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:4,t:8|
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410n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569111
PNG
(CHEMBL4873426)
Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |c:4,t:8|
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447n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122054
PNG
(8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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489n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569112
PNG
(CHEMBL4865663)
Show SMILES CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(C)cc12 |c:4,t:8|
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694n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50569119
PNG
(CHEMBL4856628)
Show SMILES Cc1ccc2Nc3ccc(F)cc3C(=Nc2c1)C1=CCNCC1 |c:14,t:20|
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848n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50547398
PNG
(CHEMBL4748915)
Show SMILES CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |c:4,t:8|
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1.39E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127911
BindingDB Entry DOI: 10.7270/Q2C82F2T
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50044633
PNG
(CHEMBL3310801)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(N)=O)c4ncccc34)CC2)CC1
Show InChI InChI=1S/C21H31N5O3/c1-2-29-20(28)25-10-5-16(6-11-25)14-24-12-7-21(8-13-24)15-26(19(22)27)18-17(21)4-3-9-23-18/h3-4,9,16H,2,5-8,10-15H2,1H3,(H2,22,27)
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n/an/a 190n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 24: 3189-93 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50044630
PNG
(CHEMBL3310798)
Show SMILES CCNC(=O)N1CC2(CCN(CC3CCN(CC3)C(=O)OCC)CC2)c2cccnc12
Show InChI InChI=1S/C23H35N5O3/c1-3-24-21(29)28-17-23(19-6-5-11-25-20(19)28)9-14-26(15-10-23)16-18-7-12-27(13-8-18)22(30)31-4-2/h5-6,11,18H,3-4,7-10,12-17H2,1-2H3,(H,24,29)
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n/an/a 230n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 24: 3189-93 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50044632
PNG
(CHEMBL3310800)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)NC)c4ncccc34)CC2)CC1
Show InChI InChI=1S/C22H33N5O3/c1-3-30-21(29)26-11-6-17(7-12-26)15-25-13-8-22(9-14-25)16-27(20(28)23-2)19-18(22)5-4-10-24-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3,(H,23,28)
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n/an/a 300n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 24: 3189-93 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50492651
PNG
(CHEMBL2407175)
Show SMILES CCCN1C(=O)CC2(CCN(CC3CCN(CC3)C(=O)OCC)CC2)c2cccnc12
Show InChI InChI=1S/C24H36N4O3/c1-3-12-28-21(29)17-24(20-6-5-11-25-22(20)28)9-15-26(16-10-24)18-19-7-13-27(14-8-19)23(30)31-4-2/h5-6,11,19H,3-4,7-10,12-18H2,1-2H3
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n/an/a 670n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG by automated planar patch-clamp system


Bioorg Med Chem Lett 23: 4644-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50428141
PNG
(CHEMBL2336055)
Show SMILES CCOC(=O)N1CCC(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
Show InChI InChI=1S/C21H29N3O3/c1-2-27-21(26)23-11-7-16(8-12-23)14-22-10-9-18(15-22)24-19-6-4-3-5-17(19)13-20(24)25/h3-6,16,18H,2,7-15H2,1H3/t18-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique


ACS Med Chem Lett 4: 244-8 (2013)


Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50492655
PNG
(CHEMBL2407171)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)Nc2ncccc32)CC1
Show InChI InChI=1S/C20H28N4O4/c1-2-27-19(26)24-10-5-15(6-11-24)14-23-12-7-20(8-13-23)16-4-3-9-21-17(16)22-18(25)28-20/h3-4,9,15H,2,5-8,10-14H2,1H3,(H,21,22,25)
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n/an/a 920n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG by automated planar patch-clamp system


Bioorg Med Chem Lett 23: 4644-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50492654
PNG
(CHEMBL2407170)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)N(C)c2ncccc32)CC1
Show InChI InChI=1S/C21H30N4O4/c1-3-28-20(27)25-11-6-16(7-12-25)15-24-13-8-21(9-14-24)17-5-4-10-22-18(17)23(2)19(26)29-21/h4-5,10,16H,3,6-9,11-15H2,1-2H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG by automated planar patch-clamp system


Bioorg Med Chem Lett 23: 4644-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50019335
PNG
(CHEMBL3289440)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Show InChI InChI=1S/C21H32N4O4S/c1-3-29-20(26)24-11-6-17(7-12-24)15-23-13-8-21(9-14-23)16-25(30(2,27)28)19-18(21)5-4-10-22-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current after 5 mins by patch-clamp method


Bioorg Med Chem Lett 24: 2909-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50019335
PNG
(CHEMBL3289440)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Show InChI InChI=1S/C21H32N4O4S/c1-3-29-20(26)24-11-6-17(7-12-24)15-23-13-8-21(9-14-23)16-25(30(2,27)28)19-18(21)5-4-10-22-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 24: 3189-93 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50130927
PNG
(CHEMBL3633184)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|
Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 25: 5357-61 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50130927
PNG
(CHEMBL3633184)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|
Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 25: 5357-61 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50130927
PNG
(CHEMBL3633184)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|
Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 25: 5357-61 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50130927
PNG
(CHEMBL3633184)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|
Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 25: 5357-61 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50130927
PNG
(CHEMBL3633184)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|
Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 25: 5357-61 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50428138
PNG
(CHEMBL2336059)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2 |r,THB:3:5:11.28.10:7.8|
Show InChI InChI=1S/C23H31N3O3/c1-2-29-23(28)25-18-7-8-19(25)12-16(11-18)14-24-10-9-20(15-24)26-21-6-4-3-5-17(21)13-22(26)27/h3-6,16,18-20H,2,7-15H2,1H3/t16-,18-,19+,20-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique


ACS Med Chem Lett 4: 244-8 (2013)


Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50044631
PNG
(CHEMBL3310799)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(CC)CC)c4ncccc34)CC2)CC1
Show InChI InChI=1S/C25H39N5O3/c1-4-28(5-2)23(31)30-19-25(21-8-7-13-26-22(21)30)11-16-27(17-12-25)18-20-9-14-29(15-10-20)24(32)33-6-3/h7-8,13,20H,4-6,9-12,14-19H2,1-3H3
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n/an/a 2.54E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 24: 3189-93 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50492653
PNG
(CHEMBL2407173)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(C)c2ncccc32)CC1
Show InChI InChI=1S/C22H32N4O3/c1-3-29-21(28)26-11-6-17(7-12-26)16-25-13-8-22(9-14-25)15-19(27)24(2)20-18(22)5-4-10-23-20/h4-5,10,17H,3,6-9,11-16H2,1-2H3
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n/an/a 2.54E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG by automated planar patch-clamp system


Bioorg Med Chem Lett 23: 4644-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50019334
PNG
(CHEMBL3289444)
Show SMILES CC(C)OC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Show InChI InChI=1S/C23H36N4O4S/c1-18(2)31-21(28)26-14-7-22(3,8-15-26)16-25-12-9-23(10-13-25)17-27(32(4,29)30)20-19(23)6-5-11-24-20/h5-6,11,18H,7-10,12-17H2,1-4H3
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n/an/a 2.75E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current after 5 mins by patch-clamp method


Bioorg Med Chem Lett 24: 2909-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50492652
PNG
(CHEMBL2407172)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)Nc2ncccc32)CC1
Show InChI InChI=1S/C21H30N4O3/c1-2-28-20(27)25-10-5-16(6-11-25)15-24-12-7-21(8-13-24)14-18(26)23-19-17(21)4-3-9-22-19/h3-4,9,16H,2,5-8,10-15H2,1H3,(H,22,23,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG by automated planar patch-clamp system


Bioorg Med Chem Lett 23: 4644-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50044629
PNG
(CHEMBL2407174)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(CC)c2ncccc32)CC1
Show InChI InChI=1S/C23H34N4O3/c1-3-27-20(28)16-23(19-6-5-11-24-21(19)27)9-14-25(15-10-23)17-18-7-12-26(13-8-18)22(29)30-4-2/h5-6,11,18H,3-4,7-10,12-17H2,1-2H3
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n/an/a 2.89E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 24: 3189-93 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50044629
PNG
(CHEMBL2407174)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(CC)c2ncccc32)CC1
Show InChI InChI=1S/C23H34N4O3/c1-3-27-20(28)16-23(19-6-5-11-24-21(19)27)9-14-25(15-10-23)17-18-7-12-26(13-8-18)22(29)30-4-2/h5-6,11,18H,3-4,7-10,12-17H2,1-2H3
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n/an/a 2.89E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG by automated planar patch-clamp system


Bioorg Med Chem Lett 23: 4644-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.013
BindingDB Entry DOI: 10.7270/Q2TQ64GH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50428140
PNG
(CHEMBL2336056)
Show SMILES CCOC(=O)N1CCC(C)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
Show InChI InChI=1S/C22H31N3O3/c1-3-28-21(27)24-12-9-22(2,10-13-24)16-23-11-8-18(15-23)25-19-7-5-4-6-17(19)14-20(25)26/h4-7,18H,3,8-16H2,1-2H3/t18-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique


ACS Med Chem Lett 4: 244-8 (2013)


Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50019336
PNG
(CHEMBL3289442)
Show SMILES CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Show InChI InChI=1S/C22H34N4O4S/c1-4-30-20(27)25-14-7-21(2,8-15-25)16-24-12-9-22(10-13-24)17-26(31(3,28)29)19-18(22)6-5-11-23-19/h5-6,11H,4,7-10,12-17H2,1-3H3
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n/an/a 3.63E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current after 5 mins by patch-clamp method


Bioorg Med Chem Lett 24: 2909-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50428139
PNG
(CHEMBL2336057)
Show SMILES CCOC(=O)N1CCC(O)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
Show InChI InChI=1S/C21H29N3O4/c1-2-28-20(26)23-11-8-21(27,9-12-23)15-22-10-7-17(14-22)24-18-6-4-3-5-16(18)13-19(24)25/h3-6,17,27H,2,7-15H2,1H3/t17-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique


ACS Med Chem Lett 4: 244-8 (2013)


Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50044634
PNG
(CHEMBL3310802)
Show SMILES OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1
Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 24: 3189-93 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50019337
PNG
(CHEMBL3289443)
Show SMILES COC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Show InChI InChI=1S/C21H32N4O4S/c1-20(6-13-24(14-7-20)19(26)29-2)15-23-11-8-21(9-12-23)16-25(30(3,27)28)18-17(21)5-4-10-22-18/h4-5,10H,6-9,11-16H2,1-3H3
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MMDB

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n/an/a 1.70E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current after 5 mins by patch-clamp method


Bioorg Med Chem Lett 24: 2909-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50019336
PNG
(CHEMBL3289442)
Show SMILES CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Show InChI InChI=1S/C22H34N4O4S/c1-4-30-20(27)25-14-7-21(2,8-15-25)16-24-12-9-22(10-13-24)17-26(31(3,28)29)19-18(22)6-5-11-23-19/h5-6,11H,4,7-10,12-17H2,1-3H3
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n/an/an/an/a 13n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 2909-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50019335
PNG
(CHEMBL3289440)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Show InChI InChI=1S/C21H32N4O4S/c1-3-29-20(26)24-11-6-17(7-12-24)15-23-13-8-21(9-14-23)16-25(30(2,27)28)19-18(21)5-4-10-22-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3
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n/an/an/an/a 93n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 2909-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50019335
PNG
(CHEMBL3289440)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Show InChI InChI=1S/C21H32N4O4S/c1-3-29-20(26)24-11-6-17(7-12-24)15-23-13-8-21(9-14-23)16-25(30(2,27)28)19-18(21)5-4-10-22-19/h4-5,10,17H,3,6-9,11-16H2,1-2H3
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n/an/an/an/a 352n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 2909-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50044634
PNG
(CHEMBL3310802)
Show SMILES OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1
Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3
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n/an/an/an/a 47n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) by calcium mobilization assay


Bioorg Med Chem Lett 24: 3189-93 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50044634
PNG
(CHEMBL3310802)
Show SMILES OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1
Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3
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n/an/an/an/a 133n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin) by calcium mobilization assay


Bioorg Med Chem Lett 24: 3189-93 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.085
BindingDB Entry DOI: 10.7270/Q2J38V74
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50130927
PNG
(CHEMBL3633184)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|
Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1
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n/an/an/an/a 86n/an/an/an/a



Sumitomo Dainippon Pharma Co. Ltd.

Curated by ChEMBL


Assay Description
Partial agonist activity at human muscarinic M4 acetylcholine receptor expressed in CHO cells co-expressing Galpha16 assessed as calcium mobilization...


Bioorg Med Chem Lett 25: 5357-61 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.032
BindingDB Entry DOI: 10.7270/Q2VT1TX2
More data for this
Ligand-Target Pair
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