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BDBM50465908 CHEMBL4291048

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

InChI Key: InChIKey=FOLXSEMOHDUPCN-UHFFFAOYSA-N

Data: 20 KI

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 20 hits for monomerid = 50465908   
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(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))
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
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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MMDB

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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
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
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
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(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))
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
Kappa-type opioid 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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667n/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
Serotonin (5-HT) 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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752n/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
Histamine H1 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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814n/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
Mu-type opioid 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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902n/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
Monoamine transporter


(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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902n/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 serotonin transporter


(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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903n/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
Sodium-dependent dopamine transporter


(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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1.19E+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
5-hydroxytryptamine receptor 1A


(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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1.26E+3n/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
Delta-type opioid 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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1.56E+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 7


(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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PubMed
1.57E+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-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 6


(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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UniChem
Article
PubMed
1.68E+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