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5 similar compounds to monomer 50086110

Compile data set for download or QSAR
Wt: 425.4
BDBM50086097		Wt: 465.5
BDBM50086099		Wt: 472.5
BDBM50086100		Wt: 447.5
BDBM50086111		Wt: 465.5
BDBM50086112

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50086097,50086099,50086100,50086111,50086112   
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
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))		BDBM50086097
PNG
(1-[2-(5-Fluoro-1H-indol-3-yl)-ethyl]-3-[4-methoxy-...)
Show SMILES COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-28-9-11-29(12-10-28)21-14-18(4-6-22(21)31-2)27-23(30)25-8-7-16-15-26-20-5-3-17(24)13-19(16)20/h3-6,13-15,26H,7-12H2,1-2H3,(H2,25,27,30)
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n/an/a 63n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))		BDBM50086111
PNG
(4-(1H-Indol-3-yl)-piperidine-1-carboxylic acid [4-...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccccc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H33N5O2/c1-29-13-15-30(16-14-29)24-17-20(7-8-25(24)33-2)28-26(32)31-11-9-19(10-12-31)22-18-27-23-6-4-3-5-21(22)23/h3-8,17-19,27H,9-16H2,1-2H3,(H,28,32)
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n/an/a 50n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
HTR1D


(RAT)		BDBM50086100
PNG
(4-(5-Cyano-1H-indol-3-yl)-piperidine-1-carboxylic ...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C#N)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H32N6O2/c1-31-11-13-32(14-12-31)25-16-21(4-6-26(25)35-2)30-27(34)33-9-7-20(8-10-33)23-18-29-24-5-3-19(17-28)15-22(23)24/h3-6,15-16,18,20,29H,7-14H2,1-2H3,(H,30,34)
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n/an/a 400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))		BDBM50086099
PNG
(4-(4-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cccc(F)c23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H32FN5O2/c1-30-12-14-31(15-13-30)23-16-19(6-7-24(23)34-2)29-26(33)32-10-8-18(9-11-32)20-17-28-22-5-3-4-21(27)25(20)22/h3-7,16-18,28H,8-15H2,1-2H3,(H,29,33)
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n/an/a 50n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
HTR1D


(RAT)		BDBM50086111
PNG
(4-(1H-Indol-3-yl)-piperidine-1-carboxylic acid [4-...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccccc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H33N5O2/c1-29-13-15-30(16-14-29)24-17-20(7-8-25(24)33-2)28-26(32)31-11-9-19(10-12-31)22-18-27-23-6-4-3-5-21(22)23/h3-8,17-19,27H,9-16H2,1-2H3,(H,28,32)
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n/an/a 233n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50086112
PNG
(4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33)
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n/an/a 667n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50086100
PNG
(4-(5-Cyano-1H-indol-3-yl)-piperidine-1-carboxylic ...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C#N)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H32N6O2/c1-31-11-13-32(14-12-31)25-16-21(4-6-26(25)35-2)30-27(34)33-9-7-20(8-10-33)23-18-29-24-5-3-19(17-28)15-22(23)24/h3-6,15-16,18,20,29H,7-14H2,1-2H3,(H,30,34)
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n/an/a 233n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50086111
PNG
(4-(1H-Indol-3-yl)-piperidine-1-carboxylic acid [4-...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccccc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H33N5O2/c1-29-13-15-30(16-14-29)24-17-20(7-8-25(24)33-2)28-26(32)31-11-9-19(10-12-31)22-18-27-23-6-4-3-5-21(22)23/h3-8,17-19,27H,9-16H2,1-2H3,(H,28,32)
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n/an/a 400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50086099
PNG
(4-(4-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cccc(F)c23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H32FN5O2/c1-30-12-14-31(15-13-30)23-16-19(6-7-24(23)34-2)29-26(33)32-10-8-18(9-11-32)20-17-28-22-5-3-4-21(27)25(20)22/h3-7,16-18,28H,8-15H2,1-2H3,(H,29,33)
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n/an/a 300n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))		BDBM50086100
PNG
(4-(5-Cyano-1H-indol-3-yl)-piperidine-1-carboxylic ...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C#N)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H32N6O2/c1-31-11-13-32(14-12-31)25-16-21(4-6-26(25)35-2)30-27(34)33-9-7-20(8-10-33)23-18-29-24-5-3-19(17-28)15-22(23)24/h3-6,15-16,18,20,29H,7-14H2,1-2H3,(H,30,34)
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n/an/a 267n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))		BDBM50086112
PNG
(4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33)
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Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50086097
PNG
(1-[2-(5-Fluoro-1H-indol-3-yl)-ethyl]-3-[4-methoxy-...)
Show SMILES COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-28-9-11-29(12-10-28)21-14-18(4-6-22(21)31-2)27-23(30)25-8-7-16-15-26-20-5-3-17(24)13-19(16)20/h3-6,13-15,26H,7-12H2,1-2H3,(H2,25,27,30)
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Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
HTR1D


(RAT)		BDBM50086112
PNG
(4-(6-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33)
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n/an/a 200n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
HTR1D


(RAT)		BDBM50086097
PNG
(1-[2-(5-Fluoro-1H-indol-3-yl)-ethyl]-3-[4-methoxy-...)
Show SMILES COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-28-9-11-29(12-10-28)21-14-18(4-6-22(21)31-2)27-23(30)25-8-7-16-15-26-20-5-3-17(24)13-19(16)20/h3-6,13-15,26H,7-12H2,1-2H3,(H2,25,27,30)
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n/an/a 167n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair
HTR1D


(RAT)		BDBM50086099
PNG
(4-(4-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic...)
Show SMILES COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cccc(F)c23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C26H32FN5O2/c1-30-12-14-31(15-13-30)23-16-19(6-7-24(23)34-2)29-26(33)32-10-8-18(9-11-32)20-17-28-22-5-3-4-21(27)25(20)22/h3-7,16-18,28H,8-15H2,1-2H3,(H,29,33)
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n/an/a 300n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex using [125I]-iodocyanopindolol as radio-ligand.

J Med Chem 43: 1149-57 (2000)


Article DOI: 10.1021/jm9811054
BindingDB Entry DOI: 10.7270/Q2VD6XPX
More data for this
Ligand-Target Pair