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Compile Data Set for Download or QSAR

Found 14 hits of ki for monomerid = 50530565   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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2.09n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding at dopamine D2-like receptors was determined using previously described methods. Membranes were prepared from HEK293 cells expressing human D...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DF6VDT
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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2.45n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding at dopamine D2-like receptors was determined using previously described methods. Membranes were prepared from HEK293 cells expressing human D...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DF6VDT
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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117n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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117n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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295n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding at dopamine D2-like receptors was determined using previously described methods. Membranes were prepared from HEK293 cells expressing human D...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DF6VDT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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328n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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328n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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328n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding at dopamine D2-like receptors was determined using previously described methods. Membranes were prepared from HEK293 cells expressing human D...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DF6VDT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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336n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I] DOI from 5HT2A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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336n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I] DOI from 5HT2A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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464n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I] DOI from 5HT2C receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
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464n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I] DOI from 5HT2C receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair