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BDBM50258470 CHEMBL4071451

SMILES: Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1

InChI Key: InChIKey=MJKPZFAVGMHXNU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50258470   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50258470
PNG
(CHEMBL4071451)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C25H24FN3O2S/c26-21-6-8-25-23(16-21)24(17-27-25)19-9-12-29(13-10-19)14-11-28-32(30,31)22-7-5-18-3-1-2-4-20(18)15-22/h1-9,15-17,27-28H,10-14H2
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PubMed
1.70n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50258470
PNG
(CHEMBL4071451)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C25H24FN3O2S/c26-21-6-8-25-23(16-21)24(17-27-25)19-9-12-29(13-10-19)14-11-28-32(30,31)22-7-5-18-3-1-2-4-20(18)15-22/h1-9,15-17,27-28H,10-14H2
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14n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50258470
PNG
(CHEMBL4071451)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C25H24FN3O2S/c26-21-6-8-25-23(16-21)24(17-27-25)19-9-12-29(13-10-19)14-11-28-32(30,31)22-7-5-18-3-1-2-4-20(18)15-22/h1-9,15-17,27-28H,10-14H2
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Article
PubMed
36n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50258470
PNG
(CHEMBL4071451)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C25H24FN3O2S/c26-21-6-8-25-23(16-21)24(17-27-25)19-9-12-29(13-10-19)14-11-28-32(30,31)22-7-5-18-3-1-2-4-20(18)15-22/h1-9,15-17,27-28H,10-14H2
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67n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50258470
PNG
(CHEMBL4071451)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Show InChI InChI=1S/C25H24FN3O2S/c26-21-6-8-25-23(16-21)24(17-27-25)19-9-12-29(13-10-19)14-11-28-32(30,31)22-7-5-18-3-1-2-4-20(18)15-22/h1-9,15-17,27-28H,10-14H2
Reactome pathway
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UniChem

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Article
PubMed
80n/an/an/an/an/an/an/an/a



Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting


J Med Chem 60: 7483-7501 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00839
BindingDB Entry DOI: 10.7270/Q2K939ZD
More data for this
Ligand-Target Pair