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8 similar compounds to monomer 50409510

Wt: 426.4
BDBM50453055
Wt: 379.4
BDBM50036761
Wt: 333.4
BDBM50159029
Wt: 408.5
BDBM50409493
Wt: 422.5
BDBM50409496
Wt: 379.4
BDBM50409509
Wt: 441.5
BDBM50445398
Wt: 407.4
BDBM50445399

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50453055,50036761,50159029,50409493,50409496,50409509,50445398,50445399   
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
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50159029
PNG
(3-(4-Benzyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C23H27NO/c25-23-16-20(15-21-8-4-5-9-22(21)23)17-24-12-10-19(11-13-24)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50159029
PNG
(3-(4-Benzyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C23H27NO/c25-23-16-20(15-21-8-4-5-9-22(21)23)17-24-12-10-19(11-13-24)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2
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4.63n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50409493
PNG
(CHEMBL310734)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2
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25n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2


J Med Chem 34: 2242-7 (1991)

Checked by Author
Article DOI: 10.1021/jm00111a046
BindingDB Entry DOI: 10.7270/Q2930VPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036761
PNG
(1'-(2-phenylethyl)-3,4-dihydro-1H-spiro[naphthalen...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)CCc1ccccc1C2=O
Show InChI InChI=1S/C24H26FNO2/c25-20-9-7-19(8-10-20)22(27)6-3-15-26-16-13-24(14-17-26)12-11-18-4-1-2-5-21(18)23(24)28/h1-2,4-5,7-10H,3,6,11-17H2
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor using [3H]spiperone in guinea pig striatum


J Med Chem 37: 364-70 (1994)


Article DOI: 10.1021/jm00029a008
BindingDB Entry DOI: 10.7270/Q2WD416F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50445399
PNG
(CHEMBL3102875)
Show SMILES CC(=O)c1ccc2C(=O)CC(CN3CCC(CC3)C(=O)c3ccc(F)cc3)Cc2c1
Show InChI InChI=1S/C25H26FNO3/c1-16(28)20-4-7-23-21(14-20)12-17(13-24(23)29)15-27-10-8-19(9-11-27)25(30)18-2-5-22(26)6-3-18/h2-7,14,17,19H,8-13,15H2,1H3
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32n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2 receptor


Eur J Med Chem 71: 237-49 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.066
BindingDB Entry DOI: 10.7270/Q2JW8GC9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50036761
PNG
(1'-(2-phenylethyl)-3,4-dihydro-1H-spiro[naphthalen...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)CCc1ccccc1C2=O
Show InChI InChI=1S/C24H26FNO2/c25-20-9-7-19(8-10-20)22(27)6-3-15-26-16-13-24(14-17-26)12-11-18-4-1-2-5-21(18)23(24)28/h1-2,4-5,7-10H,3,6,11-17H2
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46n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor of guinea pig whole brain using [3H]-SKF- 100047 radioligand


J Med Chem 37: 364-70 (1994)


Article DOI: 10.1021/jm00029a008
BindingDB Entry DOI: 10.7270/Q2WD416F
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50453055
PNG
(CHEMBL72649)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1
Show InChI InChI=1S/C25H28F2N2O2/c26-21-5-3-19(4-6-21)24(30)2-1-9-28-10-12-29(13-11-28)17-18-14-20-16-22(27)7-8-23(20)25(31)15-18/h3-8,16,18H,1-2,9-15,17H2
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51n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested for the binding affinity towards 5-HT2 receptor measured by [3H]ketanserin binding to frontal cerebral cortex membranes of rat


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50409493
PNG
(CHEMBL310734)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Tested for the binding affinity towards 5-HT2 receptor measured by [3H]ketanserin binding to frontal cerebral cortex membranes of rat


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50453055
PNG
(CHEMBL72649)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1
Show InChI InChI=1S/C25H28F2N2O2/c26-21-5-3-19(4-6-21)24(30)2-1-9-28-10-12-29(13-11-28)17-18-14-20-16-22(27)7-8-23(20)25(31)15-18/h3-8,16,18H,1-2,9-15,17H2
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78n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2


J Med Chem 34: 2242-7 (1991)

Checked by Author
Article DOI: 10.1021/jm00111a046
BindingDB Entry DOI: 10.7270/Q2930VPR
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50409493
PNG
(CHEMBL310734)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2
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380n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1


J Med Chem 34: 2242-7 (1991)

Checked by Author
Article DOI: 10.1021/jm00111a046
BindingDB Entry DOI: 10.7270/Q2930VPR
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50453055
PNG
(CHEMBL72649)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccc(F)cc3C2)CC1
Show InChI InChI=1S/C25H28F2N2O2/c26-21-5-3-19(4-6-21)24(30)2-1-9-28-10-12-29(13-11-28)17-18-14-20-16-22(27)7-8-23(20)25(31)15-18/h3-8,16,18H,1-2,9-15,17H2
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912n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1


J Med Chem 34: 2242-7 (1991)

Checked by Author
Article DOI: 10.1021/jm00111a046
BindingDB Entry DOI: 10.7270/Q2930VPR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50159029
PNG
(3-(4-Benzyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C23H27NO/c25-23-16-20(15-21-8-4-5-9-22(21)23)17-24-12-10-19(11-13-24)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against 5-hydroxytryptamine 1A receptor using 1.2 nM [3H]8-OH-DPAT


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50445398
PNG
(CHEMBL3104518)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2CC(=O)c3ccc(cc3C2)-c2ccccc2)CC1
Show InChI InChI=1S/C29H28FNO2/c30-26-9-6-22(7-10-26)29(33)23-12-14-31(15-13-23)19-20-16-25-18-24(21-4-2-1-3-5-21)8-11-27(25)28(32)17-20/h1-11,18,20,23H,12-17,19H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2 receptor


Eur J Med Chem 71: 237-49 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.066
BindingDB Entry DOI: 10.7270/Q2JW8GC9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409496
PNG
(CHEMBL96781)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C26H31FN2O2/c27-23-11-9-21(10-12-23)25(30)6-3-14-28-16-18-29(19-17-28)15-13-22-8-7-20-4-1-2-5-24(20)26(22)31/h1-2,4-5,9-12,22H,3,6-8,13-19H2
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n/an/an/a 44.7n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50409509
PNG
(CHEMBL87943)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H26FNO2/c25-21-9-7-18(8-10-21)23(27)20-12-15-26(16-13-20)14-11-19-6-5-17-3-1-2-4-22(17)24(19)28/h1-4,7-10,19-20H,5-6,11-16H2
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n/an/an/a 70.8n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50409493
PNG
(CHEMBL310734)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2
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n/an/an/a>1.00E+4n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50409496
PNG
(CHEMBL96781)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C26H31FN2O2/c27-23-11-9-21(10-12-23)25(30)6-3-14-28-16-18-29(19-17-28)15-13-22-8-7-20-4-1-2-5-24(20)26(22)31/h1-2,4-5,9-12,22H,3,6-8,13-19H2
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n/an/an/a 158n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409509
PNG
(CHEMBL87943)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCC2CCc3ccccc3C2=O)CC1
Show InChI InChI=1S/C24H26FNO2/c25-21-9-7-18(8-10-21)23(27)20-12-15-26(16-13-20)14-11-19-6-5-17-3-1-2-4-22(17)24(19)28/h1-4,7-10,19-20H,5-6,11-16H2
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n/an/an/a 33.9n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50409493
PNG
(CHEMBL310734)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1
Show InChI InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2
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n/an/an/a 53.7n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair