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BDBM50465906 CHEMBL4293307

SMILES: COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1

InChI Key: InChIKey=DYLSSJRMONSQGQ-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 = 50465906   
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


(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
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
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
Sodium-dependent dopamine transporter


(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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622n/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))
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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623n/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
5-hydroxytryptamine receptor 2B


(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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729n/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 2C


(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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740n/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
5-hydroxytryptamine receptor 2A


(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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900n/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 7


(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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949n/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
Sodium-dependent serotonin transporter


(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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1.31E+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
5-hydroxytryptamine receptor 6


(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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1.40E+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
Monoamine transporter


(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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1.44E+3n/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
5-hydroxytryptamine receptor 5A


(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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4.97E+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
Histamine H1 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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7.03E+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
Mu-type opioid 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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8.25E+3n/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
Kappa-type opioid 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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1.00E+4n/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
D(1A) 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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1.00E+4n/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
Delta-type opioid 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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1.00E+4n/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
Serotonin (5-HT) 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+4n/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
5-hydroxytryptamine receptor 1A


(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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+4n/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