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PubMed code 18817368

Compile data set for download or QSAR
Found 57 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
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a<20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of sigma1 opioid receptor


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252709
PNG
(CHEMBL493467 | N-({1-[2-(tert-butylamino)-2-oxoeth...)
Show SMILES CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27Cl2N3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human T-type Cav3.1 expressed in HEK293 cells at -80mV holding potential by whole cell patch clamp assay


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252794
PNG
(2-(4-tert-butylphenyl)-N-{[1-(3,3-dimethylbutyl)pi...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)Cc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C24H40N2O/c1-23(2,3)13-16-26-14-11-20(12-15-26)18-25-22(27)17-19-7-9-21(10-8-19)24(4,5)6/h7-10,20H,11-18H2,1-6H3,(H,25,27)
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252706
PNG
(3,5-dichloro-N-{[1-(2,3-dimethylpentyl)piperidin-4...)
Show SMILES CCC(C)C(C)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C20H30Cl2N2O/c1-4-14(2)15(3)13-24-7-5-16(6-8-24)12-23-20(25)17-9-18(21)11-19(22)10-17/h9-11,14-16H,4-8,12-13H2,1-3H3,(H,23,25)
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252747
PNG
(CHEMBL493678 | N-{[1-(3,3-dimethylbutyl)piperidin-...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C21H28F6N2O/c1-19(2,3)6-9-29-7-4-14(5-8-29)13-28-18(30)15-10-16(20(22,23)24)12-17(11-15)21(25,26)27/h10-12,14H,4-9,13H2,1-3H3,(H,28,30)
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252710
PNG
(CHEMBL522843 | N-{[1-(2-tert-butoxyethyl)piperidin...)
Show SMILES CC(C)(C)OCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H28Cl2N2O2/c1-19(2,3)25-9-8-23-6-4-14(5-7-23)13-22-18(24)15-10-16(20)12-17(21)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,22,24)
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human T-type Cav3.1 expressed in HEK293 cells at -100mV holding potential by whole cell patch clamp assay


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252748
PNG
(3,4-dichloro-N-{[1-(3,3-dimethylbutyl)piperidin-4-...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C19H28Cl2N2O/c1-19(2,3)8-11-23-9-6-14(7-10-23)13-22-18(24)15-4-5-16(20)17(21)12-15/h4-5,12,14H,6-11,13H2,1-3H3,(H,22,24)
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n/an/a 45n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50243846
PNG
(3,5-Dichloro-N-[1-(3,3-dimethyl-butyl)-piperidin-4...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H28Cl2N2O/c1-19(2,3)6-9-23-7-4-14(5-8-23)13-22-18(24)15-10-16(20)12-17(21)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,22,24)
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n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human T-type Cav3.3 expressed in HEK293 cells at -100mV holding potential by whole cell patch clamp assay


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50243805
PNG
((S)-3,5-Dichloro-N-[1-(2,2-dimethyl-tetrahydro-pyr...)
Show SMILES CC1(C)C[C@@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1
Show InChI InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243844
PNG
(1-(3-Chloro-phenyl)-3-[1-(3,3-dimethyl-butyl)-4-ph...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)Nc2cccc(Cl)c2)(CC1)c1ccccc1
Show InChI InChI=1S/C25H34ClN3O/c1-24(2,3)12-15-29-16-13-25(14-17-29,20-8-5-4-6-9-20)19-27-23(30)28-22-11-7-10-21(26)18-22/h4-11,18H,12-17,19H2,1-3H3,(H2,27,28,30)
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n/an/a 88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252791
PNG
(3,5-dichloro-N-({1-[3-(trifluoromethyl)benzyl]pipe...)
Show SMILES FC(F)(F)c1cccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)c1
Show InChI InChI=1S/C21H21Cl2F3N2O/c22-18-9-16(10-19(23)11-18)20(29)27-12-14-4-6-28(7-5-14)13-15-2-1-3-17(8-15)21(24,25)26/h1-3,8-11,14H,4-7,12-13H2,(H,27,29)
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n/an/a 93n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252795
PNG
(3,5-dichloro-N-{[1-(3,3-dimethyl-2-oxobutyl)piperi...)
Show SMILES CC(C)(C)C(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H26Cl2N2O2/c1-19(2,3)17(24)12-23-6-4-13(5-7-23)11-22-18(25)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,25)
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n/an/a 97n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252793
PNG
(CHEMBL493060 | N-{[1-(3,3-dimethylbutyl)piperidin-...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)C2(CCCCC2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H39FN2O/c1-24(2,3)15-18-28-16-11-20(12-17-28)19-27-23(29)25(13-5-4-6-14-25)21-7-9-22(26)10-8-21/h7-10,20H,4-6,11-19H2,1-3H3,(H,27,29)
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n/an/a 99n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252705
PNG
(3,5-dichloro-N-{[1-(1,3,3-trimethylbutyl)piperidin...)
Show SMILES CC(CC(C)(C)C)N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C20H30Cl2N2O/c1-14(12-20(2,3)4)24-7-5-15(6-8-24)13-23-19(25)16-9-17(21)11-18(22)10-16/h9-11,14-15H,5-8,12-13H2,1-4H3,(H,23,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243845
PNG
(3,5-Dichloro-N-[1-(4-methyl-benzyl)-piperidin-4-yl...)
Show SMILES Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1
Show InChI InChI=1S/C21H24Cl2N2O/c1-15-2-4-17(5-3-15)14-25-8-6-16(7-9-25)13-24-21(26)18-10-19(22)12-20(23)11-18/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,24,26)
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n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252797
PNG
(3,5-dichloro-N-{[1-(2-fluoro-3,3-dimethylbutyl)pip...)
Show SMILES CC(C)(C)C(F)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)17(22)12-24-6-4-13(5-7-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)
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n/an/a 169n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50243844
PNG
(1-(3-Chloro-phenyl)-3-[1-(3,3-dimethyl-butyl)-4-ph...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)Nc2cccc(Cl)c2)(CC1)c1ccccc1
Show InChI InChI=1S/C25H34ClN3O/c1-24(2,3)12-15-29-16-13-25(14-17-29,20-8-5-4-6-9-20)19-27-23(30)28-22-11-7-10-21(26)18-22/h4-11,18H,12-17,19H2,1-3H3,(H2,27,28,30)
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n/an/a 245n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252796
PNG
(3,5-dichloro-N-{[1-(2-hydroxy-3,3-dimethylbutyl)pi...)
Show SMILES CC(C)(C)C(O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H28Cl2N2O2/c1-19(2,3)17(24)12-23-6-4-13(5-7-23)11-22-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17,24H,4-7,11-12H2,1-3H3,(H,22,25)
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n/an/a 252n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50243845
PNG
(3,5-Dichloro-N-[1-(4-methyl-benzyl)-piperidin-4-yl...)
Show SMILES Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1
Show InChI InChI=1S/C21H24Cl2N2O/c1-15-2-4-17(5-3-15)14-25-8-6-16(7-9-25)13-24-21(26)18-10-19(22)12-20(23)11-18/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,24,26)
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n/an/a 281n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252749
PNG
(3-chloro-N-{[1-(3,3-dimethylbutyl)piperidin-4-yl]m...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C19H29ClN2O/c1-19(2,3)9-12-22-10-7-15(8-11-22)14-21-18(23)16-5-4-6-17(20)13-16/h4-6,13,15H,7-12,14H2,1-3H3,(H,21,23)
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n/an/a 351n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252712
PNG
(CHEMBL521833 | trans 3,5-Dichloro-N-{[1-(3,3-dimet...)
Show SMILES CC(C)(C)CCN1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17+/m0/s1
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n/an/a 411n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252791
PNG
(3,5-dichloro-N-({1-[3-(trifluoromethyl)benzyl]pipe...)
Show SMILES FC(F)(F)c1cccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)c1
Show InChI InChI=1S/C21H21Cl2F3N2O/c22-18-9-16(10-19(23)11-18)20(29)27-12-14-4-6-28(7-5-14)13-15-2-1-3-17(8-15)21(24,25)26/h1-3,8-11,14H,4-7,12-13H2,(H,27,29)
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n/an/a 483n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252703
PNG
(CHEMBL523535 | N-({1-[(6-bromopyridin-3-yl)methyl]...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)NCC1CCN(Cc2ccc(Br)nc2)CC1
Show InChI InChI=1S/C19H20BrCl2N3O/c20-18-2-1-14(11-23-18)12-25-5-3-13(4-6-25)10-24-19(26)15-7-16(21)9-17(22)8-15/h1-2,7-9,11,13H,3-6,10,12H2,(H,24,26)
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n/an/a 552n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252703
PNG
(CHEMBL523535 | N-({1-[(6-bromopyridin-3-yl)methyl]...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)NCC1CCN(Cc2ccc(Br)nc2)CC1
Show InChI InChI=1S/C19H20BrCl2N3O/c20-18-2-1-14(11-23-18)12-25-5-3-13(4-6-25)10-24-19(26)15-7-16(21)9-17(22)8-15/h1-2,7-9,11,13H,3-6,10,12H2,(H,24,26)
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n/an/a 655n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252704
PNG
(3,5-dichloro-N-{[1-(2-cyclopropylethyl)piperidin-4...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)NCC1CCN(CCC2CC2)CC1
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-9-15(10-17(20)11-16)18(23)21-12-14-4-7-22(8-5-14)6-3-13-1-2-13/h9-11,13-14H,1-8,12H2,(H,21,23)
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n/an/a 771n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 806n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252706
PNG
(3,5-dichloro-N-{[1-(2,3-dimethylpentyl)piperidin-4...)
Show SMILES CCC(C)C(C)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C20H30Cl2N2O/c1-4-14(2)15(3)13-24-7-5-16(6-8-24)12-23-20(25)17-9-18(21)11-19(22)10-17/h9-11,14-16H,4-8,12-13H2,1-3H3,(H,23,25)
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n/an/a 883n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252794
PNG
(2-(4-tert-butylphenyl)-N-{[1-(3,3-dimethylbutyl)pi...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)Cc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C24H40N2O/c1-23(2,3)13-16-26-14-11-20(12-15-26)18-25-22(27)17-19-7-9-21(10-8-19)24(4,5)6/h7-10,20H,11-18H2,1-6H3,(H,25,27)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252748
PNG
(3,4-dichloro-N-{[1-(3,3-dimethylbutyl)piperidin-4-...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C19H28Cl2N2O/c1-19(2,3)8-11-23-9-6-14(7-10-23)13-22-18(24)15-4-5-16(20)17(21)12-15/h4-5,12,14H,6-11,13H2,1-3H3,(H,22,24)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252710
PNG
(CHEMBL522843 | N-{[1-(2-tert-butoxyethyl)piperidin...)
Show SMILES CC(C)(C)OCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H28Cl2N2O2/c1-19(2,3)25-9-8-23-6-4-14(5-7-23)13-22-18(24)15-10-16(20)12-17(21)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,22,24)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5HT4 receptor


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252751
PNG
(CHEMBL446911 | N-{[1-(3,3-dimethylbutyl)piperidin-...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2cc(n[nH]2)C(F)(F)F)CC1
Show InChI InChI=1S/C17H27F3N4O/c1-16(2,3)6-9-24-7-4-12(5-8-24)11-21-15(25)13-10-14(23-22-13)17(18,19)20/h10,12H,4-9,11H2,1-3H3,(H,21,25)(H,22,23)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252747
PNG
(CHEMBL493678 | N-{[1-(3,3-dimethylbutyl)piperidin-...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C21H28F6N2O/c1-19(2,3)6-9-29-7-4-14(5-8-29)13-28-18(30)15-10-16(20(22,23)24)12-17(11-15)21(25,26)27/h10-12,14H,4-9,13H2,1-3H3,(H,28,30)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243846
PNG
(3,5-Dichloro-N-[1-(3,3-dimethyl-butyl)-piperidin-4...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H28Cl2N2O/c1-19(2,3)6-9-23-7-4-14(5-8-23)13-22-18(24)15-10-16(20)12-17(21)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,22,24)
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n/an/a 1.93E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252795
PNG
(3,5-dichloro-N-{[1-(3,3-dimethyl-2-oxobutyl)piperi...)
Show SMILES CC(C)(C)C(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H26Cl2N2O2/c1-19(2,3)17(24)12-23-6-4-13(5-7-23)11-22-18(25)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,25)
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n/an/a 2.05E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252705
PNG
(3,5-dichloro-N-{[1-(1,3,3-trimethylbutyl)piperidin...)
Show SMILES CC(CC(C)(C)C)N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C20H30Cl2N2O/c1-14(12-20(2,3)4)24-7-5-15(6-8-24)13-23-19(25)16-9-17(21)11-18(22)10-16/h9-11,14-15H,5-8,12-13H2,1-4H3,(H,23,25)
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n/an/a 2.21E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252750
PNG
(5-bromo-N-{[1-(3,3-dimethylbutyl)piperidin-4-yl]me...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2cncc(Br)c2)CC1
Show InChI InChI=1S/C18H28BrN3O/c1-18(2,3)6-9-22-7-4-14(5-8-22)11-21-17(23)15-10-16(19)13-20-12-15/h10,12-14H,4-9,11H2,1-3H3,(H,21,23)
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n/an/a 2.55E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252712
PNG
(CHEMBL521833 | trans 3,5-Dichloro-N-{[1-(3,3-dimet...)
Show SMILES CC(C)(C)CCN1CC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17+/m0/s1
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n/an/a 3.03E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252707
PNG
(3,5-dichloro-N-{[1-(3-hydroxy-3-methylbutyl)piperi...)
Show SMILES CC(C)(O)CCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C18H26Cl2N2O2/c1-18(2,24)5-8-22-6-3-13(4-7-22)12-21-17(23)14-9-15(19)11-16(20)10-14/h9-11,13,24H,3-8,12H2,1-2H3,(H,21,23)
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n/an/a 3.48E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252793
PNG
(CHEMBL493060 | N-{[1-(3,3-dimethylbutyl)piperidin-...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)C2(CCCCC2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H39FN2O/c1-24(2,3)15-18-28-16-11-20(12-17-28)19-27-23(29)25(13-5-4-6-14-25)21-7-9-22(26)10-8-21/h7-10,20H,4-6,11-19H2,1-3H3,(H,27,29)
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n/an/a 3.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243805
PNG
((S)-3,5-Dichloro-N-[1-(2,2-dimethyl-tetrahydro-pyr...)
Show SMILES CC1(C)C[C@@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1
Show InChI InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1
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n/an/a 3.79E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 4.11E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252797
PNG
(3,5-dichloro-N-{[1-(2-fluoro-3,3-dimethylbutyl)pip...)
Show SMILES CC(C)(C)C(F)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)17(22)12-24-6-4-13(5-7-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)
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n/an/a 4.73E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252796
PNG
(3,5-dichloro-N-{[1-(2-hydroxy-3,3-dimethylbutyl)pi...)
Show SMILES CC(C)(C)C(O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H28Cl2N2O2/c1-19(2,3)17(24)12-23-6-4-13(5-7-23)11-22-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17,24H,4-7,11-12H2,1-3H3,(H,22,25)
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n/an/a 4.81E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252749
PNG
(3-chloro-N-{[1-(3,3-dimethylbutyl)piperidin-4-yl]m...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C19H29ClN2O/c1-19(2,3)9-12-22-10-7-15(8-11-22)14-21-18(23)16-5-4-6-17(20)13-16/h4-6,13,15H,7-12,14H2,1-3H3,(H,21,23)
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n/an/a 4.82E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50252792
PNG
(3,5-dichloro-N-{[1-(pyridin-3-ylmethyl)piperidin-4...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)NCC1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C19H21Cl2N3O/c20-17-8-16(9-18(21)10-17)19(25)23-12-14-3-6-24(7-4-14)13-15-2-1-5-22-11-15/h1-2,5,8-11,14H,3-4,6-7,12-13H2,(H,23,25)
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n/an/a 7.61E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M2 receptor


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50252709
PNG
(CHEMBL493467 | N-({1-[2-(tert-butylamino)-2-oxoeth...)
Show SMILES CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27Cl2N3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50252711
PNG
(3,5-Dichloro-N-{[(3S,4R)-1-(3,3-dimethylbutyl)-3-f...)
Show SMILES CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-19(2,3)5-7-24-6-4-13(17(22)12-24)11-23-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17H,4-7,11-12H2,1-3H3,(H,23,25)/t13-,17-/m1/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human L-type Cav1.2 expressed in HEK293 cells at -100mV holding potential by whole cell patch clamp assay


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50240424
PNG
(3-Ethyl-3-methyl-pyrrolidine-2,5-dione | 3-Ethyl-3...)
Show SMILES CCC1(C)CC(=O)NC1=O
Show InChI InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)
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n/an/a>5.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%