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Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'crosby' and Initial = 'it'   
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))		BDBM50380565
PNG
(CHEMBL2016628)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50|
Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)
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 1.23n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380565
PNG
(CHEMBL2016628)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50|
Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)
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 1.35n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380567
PNG
(CHEMBL2016627)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:48|
Show InChI InChI=1S/C48H58Cl2N10O2/c49-35-17-19-41-43(33-35)55-47(37-11-5-7-13-39(37)53-41)59-29-25-57(26-30-59)23-9-21-51-45(61)15-3-1-2-4-16-46(62)52-22-10-24-58-27-31-60(32-28-58)48-38-12-6-8-14-40(38)54-42-20-18-36(50)34-44(42)56-48/h5-8,11-14,17-20,33-34,53-54H,1-4,9-10,15-16,21-32H2,(H,51,61)(H,52,62)
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 1.35n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380567
PNG
(CHEMBL2016627)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:48|
Show InChI InChI=1S/C48H58Cl2N10O2/c49-35-17-19-41-43(33-35)55-47(37-11-5-7-13-39(37)53-41)59-29-25-57(26-30-59)23-9-21-51-45(61)15-3-1-2-4-16-46(62)52-22-10-24-58-27-31-60(32-28-58)48-38-12-6-8-14-40(38)54-42-20-18-36(50)34-44(42)56-48/h5-8,11-14,17-20,33-34,53-54H,1-4,9-10,15-16,21-32H2,(H,51,61)(H,52,62)
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 1.41n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380582
PNG
(CHEMBL2016626)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:46|
Show InChI InChI=1S/C46H54Cl2N10O2/c47-33-15-17-39-41(31-33)53-45(35-9-1-3-11-37(35)51-39)57-27-23-55(24-28-57)21-7-19-49-43(59)13-5-6-14-44(60)50-20-8-22-56-25-29-58(30-26-56)46-36-10-2-4-12-38(36)52-40-18-16-34(48)32-42(40)54-46/h1-4,9-12,15-18,31-32,51-52H,5-8,13-14,19-30H2,(H,49,59)(H,50,60)
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 3.16n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380582
PNG
(CHEMBL2016626)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:46|
Show InChI InChI=1S/C46H54Cl2N10O2/c47-33-15-17-39-41(31-33)53-45(35-9-1-3-11-37(35)51-39)57-27-23-55(24-28-57)21-7-19-49-43(59)13-5-6-14-44(60)50-20-8-22-56-25-29-58(30-26-56)46-36-10-2-4-12-38(36)52-40-18-16-34(48)32-42(40)54-46/h1-4,9-12,15-18,31-32,51-52H,5-8,13-14,19-30H2,(H,49,59)(H,50,60)
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 3.16n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380583
PNG
(CHEMBL2016625)
Show SMILES CCCCCCCCCC(=O)NCCCN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:22|
Show InChI InChI=1S/C30H42ClN5O/c1-2-3-4-5-6-7-8-14-29(37)32-17-11-18-35-19-21-36(22-20-35)30-25-12-9-10-13-26(25)33-27-16-15-24(31)23-28(27)34-30/h9-10,12-13,15-16,23,33H,2-8,11,14,17-22H2,1H3,(H,32,37)
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 8.91n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380583
PNG
(CHEMBL2016625)
Show SMILES CCCCCCCCCC(=O)NCCCN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:22|
Show InChI InChI=1S/C30H42ClN5O/c1-2-3-4-5-6-7-8-14-29(37)32-17-11-18-35-19-21-36(22-20-35)30-25-12-9-10-13-26(25)33-27-16-15-24(31)23-28(27)34-30/h9-10,12-13,15-16,23,33H,2-8,11,14,17-22H2,1H3,(H,32,37)
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 9.10n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379818
PNG
(CHEMBL2011563)
Show SMILES C1CCc2c(C1)cccc2C1CC[NH2+]CC1
Show InChI InChI=1S/C15H21N/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13/h3,5,7,13,16H,1-2,4,6,8-11H2/p+1
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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]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379818
PNG
(CHEMBL2011563)
Show SMILES C1CCc2c(C1)cccc2C1CC[NH2+]CC1
Show InChI InChI=1S/C15H21N/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13/h3,5,7,13,16H,1-2,4,6,8-11H2/p+1
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 55n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379817
PNG
(CHEMBL2011562)
Show SMILES C1CC(CC[NH2+]1)c1cccc2ccccc12
Show InChI InChI=1S/C15H17N/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13/h1-7,13,16H,8-11H2/p+1
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 60n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379817
PNG
(CHEMBL2011562)
Show SMILES C1CC(CC[NH2+]1)c1cccc2ccccc12
Show InChI InChI=1S/C15H17N/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13/h1-7,13,16H,8-11H2/p+1
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 72n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 102n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 106n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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 214n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380581
PNG
(CHEMBL2016631)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCCCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:58|
Show InChI InChI=1S/C58H78Cl2N10O2/c59-45-27-29-51-53(43-45)65-57(47-21-15-17-23-49(47)63-51)69-39-35-67(36-40-69)33-19-31-61-55(71)25-13-11-9-7-5-3-1-2-4-6-8-10-12-14-26-56(72)62-32-20-34-68-37-41-70(42-38-68)58-48-22-16-18-24-50(48)64-52-30-28-46(60)44-54(52)66-58/h15-18,21-24,27-30,43-44,63-64H,1-14,19-20,25-26,31-42H2,(H,61,71)(H,62,72)
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 245n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380581
PNG
(CHEMBL2016631)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCCCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:58|
Show InChI InChI=1S/C58H78Cl2N10O2/c59-45-27-29-51-53(43-45)65-57(47-21-15-17-23-49(47)63-51)69-39-35-67(36-40-69)33-19-31-61-55(71)25-13-11-9-7-5-3-1-2-4-6-8-10-12-14-26-56(72)62-32-20-34-68-37-41-70(42-38-68)58-48-22-16-18-24-50(48)64-52-30-28-46(60)44-54(52)66-58/h15-18,21-24,27-30,43-44,63-64H,1-14,19-20,25-26,31-42H2,(H,61,71)(H,62,72)
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 269n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379822
PNG
(CHEMBL2011567)
Show SMILES Clc1cccc(c1)C1=CCNCC1 |t:8|
Show InChI InChI=1S/C11H12ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2
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 280n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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 296n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379821
PNG
(CHEMBL2011565)
Show SMILES FC(F)(F)c1cccc(c1)C1=CCNCC1 |t:11|
Show InChI InChI=1S/C12H12F3N/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-4,8,16H,5-7H2
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 298n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379822
PNG
(CHEMBL2011567)
Show SMILES Clc1cccc(c1)C1=CCNCC1 |t:8|
Show InChI InChI=1S/C11H12ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2
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 318n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379821
PNG
(CHEMBL2011565)
Show SMILES FC(F)(F)c1cccc(c1)C1=CCNCC1 |t:11|
Show InChI InChI=1S/C12H12F3N/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-4,8,16H,5-7H2
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 365n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379819
PNG
(CHEMBL2011564)
Show SMILES C1CC(CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2
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 366n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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 445n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379819
PNG
(CHEMBL2011564)
Show SMILES C1CC(CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2
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 612n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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 632n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379811
PNG
(CHEMBL2011554)
Show SMILES FC(F)(F)c1ccccc1C1CCNCC1
Show InChI InChI=1S/C12H14F3N/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-4,9,16H,5-8H2
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 826n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379800
PNG
(CHEMBL2011556)
Show SMILES Clc1cccc(c1)C1CC[NH2+]CC1
Show InChI InChI=1S/C11H14ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2/p+1
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 931n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379815
PNG
(CHEMBL2011560)
Show SMILES Cc1cccc(C2CCNCC2)c1C
Show InChI InChI=1S/C13H19N/c1-10-4-3-5-13(11(10)2)12-6-8-14-9-7-12/h3-5,12,14H,6-9H2,1-2H3
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 1.16E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379800
PNG
(CHEMBL2011556)
Show SMILES Clc1cccc(c1)C1CC[NH2+]CC1
Show InChI InChI=1S/C11H14ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2/p+1
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 1.43E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation ...

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379810
PNG
(CHEMBL2011553)
Show SMILES FC(F)(F)c1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H14F3N/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7H2
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 1.55E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379808
PNG
(CHEMBL2011551)
Show SMILES COc1ccccc1C1CCNCC1
Show InChI InChI=1S/C12H17NO/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10/h2-5,10,13H,6-9H2,1H3
PDB

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 1.80E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379823
PNG
(CHEMBL2011569)
Show SMILES Brc1ccc(cc1)C1=CCNCC1 |t:8|
Show InChI InChI=1S/C11H12BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
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 2.54E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50036712
PNG
(4-(4-Chloro-phenyl)-1,2,3,6-tetrahydro-pyridine | ...)
Show SMILES Clc1ccc(cc1)C1=CCNCC1 |t:8|
Show InChI InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
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 3.10E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379801
PNG
(CHEMBL2011548)
Show SMILES Cc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-4,9,11,13H,5-8H2,1H3
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 3.13E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379805
PNG
(CHEMBL2011549)
Show SMILES Cc1ccccc1C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-4-2-3-5-12(10)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
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 3.17E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379807
PNG
(CHEMBL2011550)
Show SMILES COc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H17NO/c1-14-12-4-2-3-11(9-12)10-5-7-13-8-6-10/h2-4,9-10,13H,5-8H2,1H3
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 6.19E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50036718
PNG
(4-Phenyl-1,2,3,6-tetrahydro-pyridine | 4-phenyl-1,...)
Show SMILES C1CC(=CCN1)c1ccccc1 |c:2|
Show InChI InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2
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 7.18E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379809
PNG
(CHEMBL2011552)
Show SMILES FC(F)(F)c1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C12H14F3N/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-4,10,16H,5-8H2
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 8.32E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379812
PNG
(CHEMBL2011555)
Show SMILES Clc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C11H14ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379813
PNG
(CHEMBL2011558)
Show SMILES Fc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C11H14FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379814
PNG
(CHEMBL2011559)
Show SMILES Oc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C11H15NO/c13-11-3-1-2-10(8-11)9-4-6-12-7-5-9/h1-3,8-9,12-13H,4-7H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379806
PNG
(CHEMBL2010811)
Show SMILES COc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C12H17NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50007408
PNG
(4-Phenyl-piperidine | 4-phenylpiperidine | CHEMBL2...)
Show SMILES C1CC(CCN1)c1ccccc1
Show InChI InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379804
PNG
(CHEMBL2011547)
Show SMILES Cc1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50379816
PNG
(CHEMBL2011561)
Show SMILES CN(C)c1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C13H20N2/c1-15(2)13-5-3-11(4-6-13)12-7-9-14-10-8-12/h3-6,12,14H,7-10H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting

Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380567
PNG
(CHEMBL2016627)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:48|
Show InChI InChI=1S/C48H58Cl2N10O2/c49-35-17-19-41-43(33-35)55-47(37-11-5-7-13-39(37)53-41)59-29-25-57(26-30-59)23-9-21-51-45(61)15-3-1-2-4-16-46(62)52-22-10-24-58-27-31-60(32-28-58)48-38-12-6-8-14-40(38)54-42-20-18-36(50)34-44(42)56-48/h5-8,11-14,17-20,33-34,53-54H,1-4,9-10,15-16,21-32H2,(H,51,61)(H,52,62)
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n/an/a 23n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380567
PNG
(CHEMBL2016627)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:48|
Show InChI InChI=1S/C48H58Cl2N10O2/c49-35-17-19-41-43(33-35)55-47(37-11-5-7-13-39(37)53-41)59-29-25-57(26-30-59)23-9-21-51-45(61)15-3-1-2-4-16-46(62)52-22-10-24-58-27-31-60(32-28-58)48-38-12-6-8-14-40(38)54-42-20-18-36(50)34-44(42)56-48/h5-8,11-14,17-20,33-34,53-54H,1-4,9-10,15-16,21-32H2,(H,51,61)(H,52,62)
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n/an/a 23.4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380565
PNG
(CHEMBL2016628)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50|
Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)
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n/an/a 44n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50380565
PNG
(CHEMBL2016628)
Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1 |c:13,t:50|
Show InChI InChI=1S/C50H62Cl2N10O2/c51-37-19-21-43-45(35-37)57-49(39-13-7-9-15-41(39)55-43)61-31-27-59(28-32-61)25-11-23-53-47(63)17-5-3-1-2-4-6-18-48(64)54-24-12-26-60-29-33-62(34-30-60)50-40-14-8-10-16-42(40)56-44-22-20-38(52)36-46(44)58-50/h7-10,13-16,19-22,35-36,55-56H,1-6,11-12,17-18,23-34H2,(H,53,63)(H,54,64)
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n/an/a 44.7n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphoryla...

J Med Chem 55: 1622-34 (2012)


Article DOI: 10.1021/jm201420s
BindingDB Entry DOI: 10.7270/Q2GB2524
More data for this
Ligand-Target Pair
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