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8 similar compounds to monomer 50106184

Compile data set for download or QSAR
Wt: 331.4
BDBM50106165
Wt: 305.4
BDBM50106166
Wt: 317.4
BDBM50106172
Wt: 345.5
BDBM50106174
Wt: 331.4
BDBM50106175
Wt: 345.5
BDBM50106180
Wt: 275.3
BDBM50392426
Wt: 247.3
BDBM50392428

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50106165,50106166,50106172,50106174,50106175,50106180,50392426,50392428   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50106174
PNG
(CHEMBL332297 | N-(2,2-Dimethyl-cyclohexylmethyl)-4...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NCC1CCCCC1(C)C
Show InChI InChI=1S/C22H35NO2/c1-4-5-6-9-16-25-20-13-11-18(12-14-20)21(24)23-17-19-10-7-8-15-22(19,2)3/h11-14,19H,4-10,15-17H2,1-3H3,(H,23,24)
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n/an/a>3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bindind affinity value obtained by measuring the displacement of radioligand [3H]-(-)-cytisine from a preparation of whole rat brain


J Med Chem 44: 3764-7 (2001)


Article DOI: 10.1021/jm015505u
BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50106175
PNG
(CHEMBL121750 | Enantiomer-N-(2,2-Dimethyl-cyclopen...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NCC1CCCC1(C)C
Show InChI InChI=1S/C21H33NO2/c1-4-5-6-7-15-24-19-12-10-17(11-13-19)20(23)22-16-18-9-8-14-21(18,2)3/h10-13,18H,4-9,14-16H2,1-3H3,(H,22,23)
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n/an/a 710n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Bindind affinity value obtained by measuring the displacement of radioligand [3H]-(-)-cytisine from whole rat brain Nicotinic acetylcholine receptor


J Med Chem 44: 3764-7 (2001)


Article DOI: 10.1021/jm015505u
BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50106165
PNG
((3-tert-Butyl-pyrrolidin-1-yl)-(4-hexyloxy-phenyl)...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)N1CCC(C1)C(C)(C)C
Show InChI InChI=1S/C21H33NO2/c1-5-6-7-8-15-24-19-11-9-17(10-12-19)20(23)22-14-13-18(16-22)21(2,3)4/h9-12,18H,5-8,13-16H2,1-4H3
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n/an/a>3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


Article DOI: 10.1021/jm015505u
BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50106166
PNG
(CHEMBL122341 | N-(3,3-Dimethyl-butyl)-4-hexyloxy-b...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C19H31NO2/c1-5-6-7-8-15-22-17-11-9-16(10-12-17)18(21)20-14-13-19(2,3)4/h9-12H,5-8,13-15H2,1-4H3,(H,20,21)
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


Article DOI: 10.1021/jm015505u
BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50106172
PNG
(CHEMBL340222 | N-(2,2-Dimethyl-cyclopentyl)-4-hexy...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NC1CCCC1(C)C
Show InChI InChI=1S/C20H31NO2/c1-4-5-6-7-15-23-17-12-10-16(11-13-17)19(22)21-18-9-8-14-20(18,2)3/h10-13,18H,4-9,14-15H2,1-3H3,(H,21,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


Article DOI: 10.1021/jm015505u
BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392428
PNG
(CHEMBL2151793)
Show SMILES CCCCOc1ccc(cc1)C(=O)NC1CCC1
Show InChI InChI=1S/C15H21NO2/c1-2-3-11-18-14-9-7-12(8-10-14)15(17)16-13-5-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)
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n/an/an/an/a 5.17E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50106174
PNG
(CHEMBL332297 | N-(2,2-Dimethyl-cyclohexylmethyl)-4...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NCC1CCCCC1(C)C
Show InChI InChI=1S/C22H35NO2/c1-4-5-6-9-16-25-20-13-11-18(12-14-20)21(24)23-17-19-10-7-8-15-22(19,2)3/h11-14,19H,4-10,15-17H2,1-3H3,(H,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


Article DOI: 10.1021/jm015505u
BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50106180
PNG
(CHEMBL124595 | N-(3,3-Dimethyl-cyclohexylmethyl)-4...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NCC1CCCC(C)(C)C1
Show InChI InChI=1S/C22H35NO2/c1-4-5-6-7-15-25-20-12-10-19(11-13-20)21(24)23-17-18-9-8-14-22(2,3)16-18/h10-13,18H,4-9,14-17H2,1-3H3,(H,23,24)
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n/an/a 370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


Article DOI: 10.1021/jm015505u
BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392426
PNG
(CHEMBL2151791)
Show SMILES CCCCOc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H25NO2/c1-2-3-13-20-16-11-9-14(10-12-16)17(19)18-15-7-5-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H,18,19)
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n/an/an/an/a 603n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392428
PNG
(CHEMBL2151793)
Show SMILES CCCCOc1ccc(cc1)C(=O)NC1CCC1
Show InChI InChI=1S/C15H21NO2/c1-2-3-11-18-14-9-7-12(8-10-14)15(17)16-13-5-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)
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n/an/an/an/a 5.13E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392426
PNG
(CHEMBL2151791)
Show SMILES CCCCOc1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H25NO2/c1-2-3-13-20-16-11-9-14(10-12-16)17(19)18-15-7-5-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H,18,19)
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n/an/an/an/a 607n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50106175
PNG
(CHEMBL121750 | Enantiomer-N-(2,2-Dimethyl-cyclopen...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)NCC1CCCC1(C)C
Show InChI InChI=1S/C21H33NO2/c1-4-5-6-7-15-24-19-12-10-17(11-13-19)20(23)22-16-18-9-8-14-21(18,2)3/h10-13,18H,4-9,14-16H2,1-3H3,(H,22,23)
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


Article DOI: 10.1021/jm015505u
BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair