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Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'cucullo' 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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50465908
PNG
(CHEMBL4291048)
Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2
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25n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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38n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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58n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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62n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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70n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50465909
PNG
(CHEMBL1644978)
Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2
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77n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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121n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human DAT expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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121n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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125n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50465907
PNG
(CHEMBL4282702)
Show SMILES OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H26ClF4NO/c24-21-10-7-18(16-20(21)23(26,27)28)22(30)11-14-29(15-12-22)13-3-1-2-4-17-5-8-19(25)9-6-17/h5-10,16,30H,1-4,11-15H2
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132n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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135n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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136n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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147n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50465908
PNG
(CHEMBL4291048)
Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2
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148n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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159n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50465908
PNG
(CHEMBL4291048)
Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2
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164n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50465908
PNG
(CHEMBL4291048)
Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2
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177n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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184n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50465909
PNG
(CHEMBL1644978)
Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2
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194n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50465909
PNG
(CHEMBL1644978)
Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2
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209n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50465908
PNG
(CHEMBL4291048)
Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2
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252n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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278n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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280n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50465908
PNG
(CHEMBL4291048)
Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2
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300n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50465912
PNG
(CHEMBL4287623)
Show SMILES [#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H27ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h3-13,19,37H,1-2,14-18H2
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317n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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326n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50465912
PNG
(CHEMBL4287623)
Show SMILES [#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H27ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h3-13,19,37H,1-2,14-18H2
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328n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50465909
PNG
(CHEMBL1644978)
Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2
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356n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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356n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from human 5HT1A receptor expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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361n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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374n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50465909
PNG
(CHEMBL1644978)
Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2
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385n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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401n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Rauwolscine from human alpha 2B adrenergic receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50465907
PNG
(CHEMBL4282702)
Show SMILES OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H26ClF4NO/c24-21-10-7-18(16-20(21)23(26,27)28)22(30)11-14-29(15-12-22)13-3-1-2-4-17-5-8-19(25)9-6-17/h5-10,16,30H,1-4,11-15H2
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401n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50465908
PNG
(CHEMBL4291048)
Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2
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402n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C receptor expressed in HEK293FlpIN cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50465906
PNG
(CHEMBL4293307)
Show SMILES COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C30H34ClF3N2O3/c1-38-25-10-6-23(7-11-25)36(24-8-12-26(39-2)13-9-24)18-4-3-17-35-19-15-29(37,16-20-35)22-5-14-28(31)27(21-22)30(32,33)34/h5-14,21,37H,3-4,15-20H2,1-2H3
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417n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50465909
PNG
(CHEMBL1644978)
Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2
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423n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50465909
PNG
(CHEMBL1644978)
Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2
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428n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human SERT expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50465908
PNG
(CHEMBL4291048)
Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2
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437n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50465906
PNG
(CHEMBL4293307)
Show SMILES COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C30H34ClF3N2O3/c1-38-25-10-6-23(7-11-25)36(24-8-12-26(39-2)13-9-24)18-4-3-17-35-19-15-29(37,16-20-35)22-5-14-28(31)27(21-22)30(32,33)34/h5-14,21,37H,3-4,15-20H2,1-2H3
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437n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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445n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Rauwolscine from human alpha 2C adrenergic receptor expressed in MDCK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50465910
PNG
(CHEMBL4278465)
Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2
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458n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50465906
PNG
(CHEMBL4293307)
Show SMILES COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
Show InChI InChI=1S/C30H34ClF3N2O3/c1-38-25-10-6-23(7-11-25)36(24-8-12-26(39-2)13-9-24)18-4-3-17-35-19-15-29(37,16-20-35)22-5-14-28(31)27(21-22)30(32,33)34/h5-14,21,37H,3-4,15-20H2,1-2H3
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459n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50465907
PNG
(CHEMBL4282702)
Show SMILES OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H26ClF4NO/c24-21-10-7-18(16-20(21)23(26,27)28)22(30)11-14-29(15-12-22)13-3-1-2-4-17-5-8-19(25)9-6-17/h5-10,16,30H,1-4,11-15H2
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460n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50465908
PNG
(CHEMBL4291048)
Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2
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474n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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481n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from human 5HT1A receptor expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50465910
PNG
(CHEMBL4278465)
Show SMILES OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H28ClF5N2O/c29-26-12-3-20(19-25(26)28(32,33)34)27(37)13-17-35(18-14-27)15-1-2-16-36(23-8-4-21(30)5-9-23)24-10-6-22(31)7-11-24/h3-12,19,37H,1-2,13-18H2
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509n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50026066
PNG
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)
Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
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515n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta 3 adrenergic receptor expressed in HEK293FlpIN cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50465911
PNG
(CHEMBL1644980)
Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
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518n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50465912
PNG
(CHEMBL4287623)
Show SMILES [#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H27ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h3-13,19,37H,1-2,14-18H2
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526n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cells by radioligand binding assay


Bioorg Med Chem Lett 28: 3652-3657 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.036
BindingDB Entry DOI: 10.7270/Q280558N
More data for this
Ligand-Target Pair
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