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Compile Data Set for Download or QSAR

Found 1972 hits with Last Name = 'yi' and Initial = 'l'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.240n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM85827
PNG
((R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-be...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222885
PNG
(6-(4-fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)...)
Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3
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0.470n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM85190
PNG
(CAS_3055171 | NAD-299 | NSC_3055171)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
Show InChI InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)
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0.590n/an/an/an/an/an/an/an/a



Preclinical R & D, Astra Arcus AB

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 216-25 (1997)


BindingDB Entry DOI: 10.7270/Q22Z142T
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
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0.860n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222875
PNG
(6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidi...)
Show SMILES Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1
Show InChI InChI=1S/C27H26FN3O2/c1-18-5-2-3-7-23(18)26-30-25-13-12-22(33-21-10-8-20(28)9-11-21)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285668
PNG
(2-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-prop...)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-10-5-4-9-25(26)31-18-16-30(17-19-31)15-6-20-33-22-13-11-21(12-14-22)27-28-23-7-2-3-8-24(23)29-27/h2-5,7-14H,6,15-20H2,1H3,(H,28,29)
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1.70n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to dopaminergic D3 receptor (unknown origin)


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222859
PNG
(6-(4-chlorophenyl)-3-{[(3S)-1-ethylpiperidin-3-yl]...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222884
PNG
(6-(4-chlorophenyl)-3-[(-1-ethylpiperidin-3-yl)meth...)
Show SMILES CCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222873
PNG
(6-(4-chlorophenyl)-3-[(1-isopropylpiperidin-3-yl)m...)
Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32ClN3O/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-12-24(17-27(28)30(34)35)23-10-13-25(31)14-11-23/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3
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1.80n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222863
PNG
(6-(4-chlorophenyl)-3-[(1-cyclobutylpiperidin-3-yl)...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(C1)C1CCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H32ClN3O/c1-21-6-2-3-10-27(21)30-33-29-16-13-24(23-11-14-25(32)15-12-23)18-28(29)31(36)35(30)20-22-7-5-17-34(19-22)26-8-4-9-26/h2-3,6,10-16,18,22,26H,4-5,7-9,17,19-20H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133171
PNG
(CHEMBL3634821)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1
Show InChI InChI=1S/C29H28FN3O3/c30-22-8-11-24-27(19-22)36-32-29(24)21-12-15-33(16-13-21)14-3-17-34-23-9-6-20(7-10-23)18-28-31-25-4-1-2-5-26(25)35-28/h1-2,4-11,19,21H,3,12-18H2
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2.70n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7 receptor in rat hypothalamus homogenates after 120 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopaminergic D2 receptor in rat striatum homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222858
PNG
(6-(4-fluorophenoxy)-2-isopropyl-3-[(1-isopropylpip...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C(C)C)C1
Show InChI InChI=1S/C26H32FN3O2/c1-17(2)25-28-24-12-11-22(32-21-9-7-20(27)8-10-21)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222879
PNG
(6-(4-chlorophenyl)-3-{[1-(2-methoxyethyl)piperidin...)
Show SMILES COCCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32ClN3O2/c1-21-6-3-4-8-26(21)29-32-28-14-11-24(23-9-12-25(31)13-10-23)18-27(28)30(35)34(29)20-22-7-5-15-33(19-22)16-17-36-2/h3-4,6,8-14,18,22H,5,7,15-17,19-20H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM85826
PNG
((R)-N-Isopropyl-3-[isopropyl(propyl)amino]-3,4-dih...)
Show SMILES CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 883-93 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0DQ2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222862
PNG
(6-(4-chlorophenyl)-2-(2-methylphenyl)-3-(piperidin...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCNC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN3O/c1-18-5-2-3-7-23(18)26-30-25-13-10-21(20-8-11-22(28)12-9-20)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3
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7n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133181
PNG
(CHEMBL3634813)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Show InChI InChI=1S/C28H26FN3O3/c29-21-8-11-23-26(18-21)35-31-27(23)19-12-15-32(16-13-19)14-3-17-33-22-9-6-20(7-10-22)28-30-24-4-1-2-5-25(24)34-28/h1-2,4-11,18-19H,3,12-17H2
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8.30n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50285668
PNG
(2-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-prop...)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-10-5-4-9-25(26)31-18-16-30(17-19-31)15-6-20-33-22-13-11-21(12-14-22)27-28-23-7-2-3-8-24(23)29-27/h2-5,7-14H,6,15-20H2,1H3,(H,28,29)
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8.80n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity to dopaminergic D2 receptor (unknown origin)


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50133171
PNG
(CHEMBL3634821)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1
Show InChI InChI=1S/C29H28FN3O3/c30-22-8-11-24-27(19-22)36-32-29(24)21-12-15-33(16-13-21)14-3-17-34-23-9-6-20(7-10-23)18-28-31-25-4-1-2-5-26(25)35-28/h1-2,4-11,19,21H,3,12-18H2
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11n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopaminergic D2 receptor in rat striatum homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
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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12n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
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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15n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222853
PNG
(6-(4-chlorophenyl)-3-{[1-(2-fluoroethyl)piperidin-...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(CCF)C1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClFN3O/c1-20-5-2-3-7-25(20)28-32-27-13-10-23(22-8-11-24(30)12-9-22)17-26(27)29(35)34(28)19-21-6-4-15-33(18-21)16-14-31/h2-3,5,7-13,17,21H,4,6,14-16,18-19H2,1H3
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16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222881
PNG
((S)-3-((1-ethylpiperidin-3-yl)methyl)-2-o-tolyl-6-...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50285668
PNG
(2-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-prop...)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C27H30N4O2/c1-32-26-10-5-4-9-25(26)31-18-16-30(17-19-31)15-6-20-33-22-13-11-21(12-14-22)27-28-23-7-2-3-8-24(23)29-27/h2-5,7-14H,6,15-20H2,1H3,(H,28,29)
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16n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopaminergic D2 receptor in rat striatum homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222887
PNG
((S)-6-(4-chlorophenyl)-3-((1-ethylpiperidin-3-yl)m...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1S/C29H27ClF3N3O/c1-2-35-15-3-4-19(17-35)18-36-27(21-5-10-23(11-6-21)29(31,32)33)34-26-14-9-22(16-25(26)28(36)37)20-7-12-24(30)13-8-20/h5-14,16,19H,2-4,15,17-18H2,1H3/t19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133179
PNG
(CHEMBL3634814)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C27H26N4O2S/c1-4-9-25-22(6-1)26(29-34-25)31-17-15-30(16-18-31)14-5-19-32-21-12-10-20(11-13-21)27-28-23-7-2-3-8-24(23)33-27/h1-4,6-13H,5,14-19H2
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17n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222869
PNG
(6-(4-fluorophenoxy)-3-{[(3S)-1-isopropylpiperidin-...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C24H28FN3O2/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1
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17n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222854
PNG
(6-(4-luorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C23H26FN3O2/c1-16(2)26-11-3-4-17(13-26)14-27-15-25-22-10-9-20(12-21(22)23(27)28)29-19-7-5-18(24)6-8-19/h5-10,12,15-17H,3-4,11,13-14H2,1-2H3/t17-/m0/s1
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18n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50133171
PNG
(CHEMBL3634821)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1
Show InChI InChI=1S/C29H28FN3O3/c30-22-8-11-24-27(19-22)36-32-29(24)21-12-15-33(16-13-21)14-3-17-34-23-9-6-20(7-10-23)18-28-31-25-4-1-2-5-26(25)35-28/h1-2,4-11,19,21H,3,12-18H2
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19n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7 receptor in rat hypothalamus homogenates after 120 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50371160
PNG
(CHEMBL243429)
Show SMILES CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCN(CC)C3)c(=O)c2c1
Show InChI InChI=1S/C28H38N4O2/c1-5-7-16-30(3)22-14-15-25-24(18-22)28(33)32(20-21-11-10-17-31(6-2)19-21)27(29-25)23-12-8-9-13-26(23)34-4/h8-9,12-15,18,21H,5-7,10-11,16-17,19-20H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50133171
PNG
(CHEMBL3634821)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1
Show InChI InChI=1S/C29H28FN3O3/c30-22-8-11-24-27(19-22)36-32-29(24)21-12-15-33(16-13-21)14-3-17-34-23-9-6-20(7-10-23)18-28-31-25-4-1-2-5-26(25)35-28/h1-2,4-11,19,21H,3,12-18H2
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21n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50133181
PNG
(CHEMBL3634813)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Show InChI InChI=1S/C28H26FN3O3/c29-21-8-11-23-26(18-21)35-31-27(23)19-12-15-32(16-13-19)14-3-17-33-22-9-6-20(7-10-22)28-30-24-4-1-2-5-25(24)34-28/h1-2,4-11,18-19H,3,12-17H2
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22n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopaminergic D2 receptor in rat striatum homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133169
PNG
(CHEMBL3634819)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(-c3nc4ccccc4o3)c(F)c2)CC1
Show InChI InChI=1S/C28H25F2N3O3/c29-19-6-8-22-26(16-19)36-32-27(22)18-10-13-33(14-11-18)12-3-15-34-20-7-9-21(23(30)17-20)28-31-24-4-1-2-5-25(24)35-28/h1-2,4-9,16-18H,3,10-15H2
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24n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222868
PNG
(3-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylpheny...)
Show SMILES CCN1CCCC(Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222876
PNG
(6-(4-chlorophenyl)-3-[(1-ethyl-1,2,5,6-tetrahydrop...)
Show SMILES CCN1CCC=C(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H28ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7-15,17H,3,6,16,18-19H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133203
PNG
(CHEMBL3634810)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Show InChI InChI=1S/C27H29N3O3/c1-31-26-10-5-3-8-24(26)30-18-16-29(17-19-30)15-6-20-32-22-13-11-21(12-14-22)27-28-23-7-2-4-9-25(23)33-27/h2-5,7-14H,6,15-20H2,1H3
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29n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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30n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5-HT2C receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50133174
PNG
(CHEMBL3634824)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCc3nc4ccccc4o3)cc2)CC1
Show InChI InChI=1S/C30H30FN3O3/c31-23-9-12-25-28(20-23)37-33-30(25)22-14-17-34(18-15-22)16-3-19-35-24-10-6-21(7-11-24)8-13-29-32-26-4-1-2-5-27(26)36-29/h1-2,4-7,9-12,20,22H,3,8,13-19H2
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31n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133175
PNG
(CHEMBL3634825)
Show SMILES CC(c1nc2ccccc2o1)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
Show InChI InChI=1S/C30H30FN3O3/c1-20(30-32-26-5-2-3-6-27(26)36-30)21-7-10-24(11-8-21)35-18-4-15-34-16-13-22(14-17-34)29-25-12-9-23(31)19-28(25)37-33-29/h2-3,5-12,19-20,22H,4,13-18H2,1H3
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31n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50371159
PNG
(CHEMBL390274)
Show SMILES CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1
Show InChI InChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3
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36n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133174
PNG
(CHEMBL3634824)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCc3nc4ccccc4o3)cc2)CC1
Show InChI InChI=1S/C30H30FN3O3/c31-23-9-12-25-28(20-23)37-33-30(25)22-14-17-34(18-15-22)16-3-19-35-24-10-6-21(7-11-24)8-13-29-32-26-4-1-2-5-27(26)36-29/h1-2,4-7,9-12,20,22H,3,8,13-19H2
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38n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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38n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222865
PNG
(6-(4-fluorophenyl)-2-isopropyl-3-[(1-isopropylpipe...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(F)cc2)C(C)C)C1
Show InChI InChI=1S/C26H32FN3O/c1-17(2)25-28-24-12-9-21(20-7-10-22(27)11-8-20)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
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39n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133183
PNG
(CHEMBL3634811)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H25N5O2/c1-2-6-22-21(5-1)27-23(31-22)19-7-9-20(10-8-19)30-18-4-13-28-14-16-29(17-15-28)24-25-11-3-12-26-24/h1-3,5-12H,4,13-18H2
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39n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222883
PNG
((S)-3-((1-ethylpiperidin-3-yl)methyl)-6-(4-fluorop...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(F)cc2)C(C)C)C1
Show InChI InChI=1S/C25H30FN3O/c1-4-28-13-5-6-18(15-28)16-29-24(17(2)3)27-23-12-9-20(14-22(23)25(29)30)19-7-10-21(26)11-8-19/h7-12,14,17-18H,4-6,13,15-16H2,1-3H3/t18-/m0/s1
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40n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50133177
PNG
(CHEMBL3634817)
Show SMILES Cc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)-c1nc2ccccc2o1
Show InChI InChI=1S/C29H28FN3O3/c1-19-17-21(29-31-24-5-2-3-6-26(24)35-29)7-10-25(19)34-16-4-13-33-14-11-20(12-15-33)28-23-9-8-22(30)18-27(23)36-32-28/h2-3,5-10,17-18,20H,4,11-16H2,1H3
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41n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 25: 5299-305 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.045
BindingDB Entry DOI: 10.7270/Q26W9CW2
More data for this
Ligand-Target Pair
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