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2 similar compounds to monomer 50421373

Compile data set for download or QSAR
Wt: 456.6
BDBM50421370
Wt: 384.5
BDBM50421371

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50421370,50421371   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50421370
PNG
(CHEMBL417608)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
Show InChI InChI=1S/C27H40N2O4/c1-3-13-28(19-21-16-22-23(32-2)9-8-10-24(22)33-20-21)14-6-7-15-29-25(30)17-27(18-26(29)31)11-4-5-12-27/h8-10,21H,3-7,11-20H2,1-2H3
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Article
n/an/a 1.00E+14n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 2C receptor by displacement of [3H]N-methyl-mesulergine


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50421370
PNG
(CHEMBL417608)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
Show InChI InChI=1S/C27H40N2O4/c1-3-13-28(19-21-16-22-23(32-2)9-8-10-24(22)33-20-21)14-6-7-15-29-25(30)17-27(18-26(29)31)11-4-5-12-27/h8-10,21H,3-7,11-20H2,1-2H3
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n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-Raclopride.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50421371
PNG
(CHEMBL11425)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
Show InChI InChI=1S/C23H32N2O3/c26-21-14-23(9-3-4-10-23)15-22(27)25(21)12-6-5-11-24-16-18-13-19-7-1-2-8-20(19)28-17-18/h1-2,7-8,18,24H,3-6,9-17H2
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n/an/a 56n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50421370
PNG
(CHEMBL417608)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
Show InChI InChI=1S/C27H40N2O4/c1-3-13-28(19-21-16-22-23(32-2)9-8-10-24(22)33-20-21)14-6-7-15-29-25(30)17-27(18-26(29)31)11-4-5-12-27/h8-10,21H,3-7,11-20H2,1-2H3
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n/an/a 7.76E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50421371
PNG
(CHEMBL11425)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
Show InChI InChI=1S/C23H32N2O3/c26-21-14-23(9-3-4-10-23)15-22(27)25(21)12-6-5-11-24-16-18-13-19-7-1-2-8-20(19)28-17-18/h1-2,7-8,18,24H,3-6,9-17H2
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Article
n/an/a 1.00E+14n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 2C receptor by displacement of [3H]N-methyl-mesulergine


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50421371
PNG
(CHEMBL11425)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
Show InChI InChI=1S/C23H32N2O3/c26-21-14-23(9-3-4-10-23)15-22(27)25(21)12-6-5-11-24-16-18-13-19-7-1-2-8-20(19)28-17-18/h1-2,7-8,18,24H,3-6,9-17H2
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Article
n/an/a 3.31E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Dopamine receptor D1 by displacement of [3H]SCH-23,390


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50421370
PNG
(CHEMBL417608)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
Show InChI InChI=1S/C27H40N2O4/c1-3-13-28(19-21-16-22-23(32-2)9-8-10-24(22)33-20-21)14-6-7-15-29-25(30)17-27(18-26(29)31)11-4-5-12-27/h8-10,21H,3-7,11-20H2,1-2H3
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Article
n/an/a 1.38E+4n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Dopamine receptor D1 by displacement of [3H]SCH-23,390


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50421370
PNG
(CHEMBL417608)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
Show InChI InChI=1S/C27H40N2O4/c1-3-13-28(19-21-16-22-23(32-2)9-8-10-24(22)33-20-21)14-6-7-15-29-25(30)17-27(18-26(29)31)11-4-5-12-27/h8-10,21H,3-7,11-20H2,1-2H3
UniProtKB/SwissProt

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PC cid
PC sid
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Article
n/an/a 513n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by displacement of [3H]8-OH-DPAT.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50421371
PNG
(CHEMBL11425)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
Show InChI InChI=1S/C23H32N2O3/c26-21-14-23(9-3-4-10-23)15-22(27)25(21)12-6-5-11-24-16-18-13-19-7-1-2-8-20(19)28-17-18/h1-2,7-8,18,24H,3-6,9-17H2
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Article
n/an/a 68n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-Raclopride.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50421371
PNG
(CHEMBL11425)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
Show InChI InChI=1S/C23H32N2O3/c26-21-14-23(9-3-4-10-23)15-22(27)25(21)12-6-5-11-24-16-18-13-19-7-1-2-8-20(19)28-17-18/h1-2,7-8,18,24H,3-6,9-17H2
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Article
n/an/a 6.92E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]5-HT.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50421371
PNG
(CHEMBL11425)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
Show InChI InChI=1S/C23H32N2O3/c26-21-14-23(9-3-4-10-23)15-22(27)25(21)12-6-5-11-24-16-18-13-19-7-1-2-8-20(19)28-17-18/h1-2,7-8,18,24H,3-6,9-17H2
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor by displacement of [3H]8-OH-DPAT.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50421370
PNG
(CHEMBL417608)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
Show InChI InChI=1S/C27H40N2O4/c1-3-13-28(19-21-16-22-23(32-2)9-8-10-24(22)33-20-21)14-6-7-15-29-25(30)17-27(18-26(29)31)11-4-5-12-27/h8-10,21H,3-7,11-20H2,1-2H3
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Article
n/an/a 7.41E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]5-HT.


Citation and Details

Article DOI: 10.1016/0960-894X(96)00174-6
BindingDB Entry DOI: 10.7270/Q2X92CK1
More data for this
Ligand-Target Pair