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BDBM50026066 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol::1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol::CHEMBL47050::PENFLURIDOL1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol::Penfluridol

SMILES: OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=MDLAAYDRRZXJIF-UHFFFAOYSA-N

Data: 35 KI  2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50026066   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(BOVINE)
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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5.60n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Neuropsychiatry Clin Neurosci 8: 223-6 (1996)


Article DOI: 10.1176/jnp.8.2.223
BindingDB Entry DOI: 10.7270/Q27S7M9V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
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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5.60n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
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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31n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 120: 365-8 (1995)


Article DOI: 10.1007/bf02311185
BindingDB Entry DOI: 10.7270/Q2VT1QKB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
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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63.1n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1403-10 (1994)


BindingDB Entry DOI: 10.7270/Q2154FJQ
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(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))
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 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
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
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
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
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
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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500n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)


Article DOI: 10.1007/bf02245606
BindingDB Entry DOI: 10.7270/Q2610XV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and 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
Monoamine transporter


(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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588n/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
Alpha adrenergic receptor (1a and 1d)


(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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602n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Prazosin from human alpha 1D adrenergic 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))
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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867n/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 2C


(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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881n/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
Histamine H1 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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1.00E+3n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human H1 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))
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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1.00E+3n/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
Kappa-type opioid 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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1.00E+3n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) 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))
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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1.00E+3n/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 5A


(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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1.00E+3n/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-HT5A receptor expressed in Flp-In CHO 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 6


(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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1.00E+3n/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-HT6 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))
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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1.00E+3n/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
DRD1


(BOVINE)
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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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




J Neuropsychiatry Clin Neurosci 8: 223-6 (1996)


Article DOI: 10.1176/jnp.8.2.223
BindingDB Entry DOI: 10.7270/Q27S7M9V
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
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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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(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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1.71E+3n/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
Delta-type opioid 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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1.71E+3n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human DOR 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))
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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2.08E+3n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 226-32 (2000)


BindingDB Entry DOI: 10.7270/Q29P3064
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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3.56E+3n/an/an/an/an/an/an/an/a



Texas Tech University Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5-HT1D 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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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5.00E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1403-10 (1994)


BindingDB Entry DOI: 10.7270/Q2154FJQ
More data for this
Ligand-Target Pair
HTR6


(RAT)
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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5.00E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1403-10 (1994)


BindingDB Entry DOI: 10.7270/Q2154FJQ
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol (0.5 nM) binding to dopamine receptor from rat striatal membrane.


J Med Chem 29: 8-19 (1986)


BindingDB Entry DOI: 10.7270/Q2NP26N5
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
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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n/an/a 5.01E+3n/an/an/an/an/an/a



Institut Pasteur Korea



Assay Description
Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...


Antimicrob Agents Chemother 64: (2020)


Article DOI: 10.1128/AAC.00819-20
BindingDB Entry DOI: 10.7270/Q22N54QR
More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(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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n/an/an/an/a 187n/an/a7.322



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)


Article DOI: 10.1111/cbdd.12810
BindingDB Entry DOI: 10.7270/Q2S181B1
More data for this
Ligand-Target Pair