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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50049054   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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1.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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1.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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2.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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2.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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3.20n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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3.20n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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5.80n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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5.80n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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18n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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18n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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43n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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43n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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76n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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76n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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273n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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275n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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275n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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275n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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562n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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568n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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832n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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834n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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1.04E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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1.05E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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n/an/a 1.86E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233624
PNG
(CHEMBL4093980)
Show SMILES Clc1cccc(N2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c22-16-5-3-7-18(21(16)23)25-13-11-24(12-14-25)9-4-10-26-17-6-1-2-8-19(17)28-15-20(26)27/h1-3,5-8H,4,9-15H2
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n/an/a 1.87E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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n/an/a 3.24E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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n/an/a 3.25E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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n/an/a 4.17E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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n/an/a 4.19E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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n/an/a 4.26E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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n/an/a 4.27E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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n/an/a 5.13E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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n/an/a 5.18E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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n/an/a 8.51E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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n/an/a 8.53E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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n/an/an/an/a 0.640n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in F1pIn CHO cells assessed as induction of ERK1/2 phosphorylation incubated for 5 mins by ...


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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n/an/an/an/a 129n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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n/an/an/an/a 1.04E+3n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Partial agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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n/an/an/an/a 0.631n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in F1pIn CHO cells assessed as induction of ERK1/2 phosphorylation incubated for 5 mins by ...


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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n/an/an/an/a 1.05E+3n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Partial agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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n/an/an/an/a 0.0955n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in F1pIn CHO cells assessed as increase in forskolin-mediated cAMP accumulation incubated f...


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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n/an/an/an/a 0.0960n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2L receptor expressed in F1pIn CHO cells assessed as increase in forskolin-mediated cAMP accumulation incubated f...


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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n/an/an/an/a 129n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair