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SMILES: C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1

InChI Key: InChIKey=TYKXLUMYKFFSJE-UHFFFAOYSA-N

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 8 hits for monomerid = 50231640   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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923n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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44n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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933n/an/an/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement


J Med Chem 39: 126-34 (1996)


Article DOI: 10.1021/jm950410b
BindingDB Entry DOI: 10.7270/Q2VX0K7V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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26n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human D2S receptor expressed in CHOK1 cell membranes measured after 120 mins


Eur J Med Chem 180: 673-689 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.050
BindingDB Entry DOI: 10.7270/Q2XK8JXM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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354n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cell membranes measured after 120 mins


Eur J Med Chem 180: 673-689 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.050
BindingDB Entry DOI: 10.7270/Q2XK8JXM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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n/an/a 2.62E+3n/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHOK1 cells assessed as inhibition of 5-HT induced inositol phosphate production incubated f...


Eur J Med Chem 180: 673-689 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.050
BindingDB Entry DOI: 10.7270/Q2XK8JXM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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n/an/a 2.63E+3n/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHOK1 cells assessed as inhibition of 5-HT induced inositol phosphate production incubated f...


Eur J Med Chem 180: 673-689 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.050
BindingDB Entry DOI: 10.7270/Q2XK8JXM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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PubMed
125n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cell membranes measured after 30 mins


Eur J Med Chem 180: 673-689 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.050
BindingDB Entry DOI: 10.7270/Q2XK8JXM
More data for this
Ligand-Target Pair