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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for monomerid = 50238765   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50238765
PNG
(CHEMBL4072722)
Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC |r|
Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-18-6-4-3-5-13(18)11-21-12-14-9-16(14)17-10-15(20)7-8-19(17)23-2;/h3-8,10,14,16,21H,9,11-12H2,1-2H3;1H/t14-,16+;/m1./s1
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Article
PubMed
n/an/an/an/a 24n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2C-INI receptor isoform expressed in Flp-IN HEK293 cells assessed as induction of Gq-mediated calcium flux measured eve...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50238765
PNG
(CHEMBL4072722)
Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC |r|
Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-18-6-4-3-5-13(18)11-21-12-14-9-16(14)17-10-15(20)7-8-19(17)23-2;/h3-8,10,14,16,21H,9,11-12H2,1-2H3;1H/t14-,16+;/m1./s1
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PubMed
n/an/an/an/a 69n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50238765
PNG
(CHEMBL4072722)
Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC |r|
Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-18-6-4-3-5-13(18)11-21-12-14-9-16(14)17-10-15(20)7-8-19(17)23-2;/h3-8,10,14,16,21H,9,11-12H2,1-2H3;1H/t14-,16+;/m1./s1
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Article
PubMed
n/an/an/an/a 70n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50238765
PNG
(CHEMBL4072722)
Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC |r|
Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-18-6-4-3-5-13(18)11-21-12-14-9-16(14)17-10-15(20)7-8-19(17)23-2;/h3-8,10,14,16,21H,9,11-12H2,1-2H3;1H/t14-,16+;/m1./s1
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Article
PubMed
n/an/an/an/a 138n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50238765
PNG
(CHEMBL4072722)
Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC |r|
Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-18-6-4-3-5-13(18)11-21-12-14-9-16(14)17-10-15(20)7-8-19(17)23-2;/h3-8,10,14,16,21H,9,11-12H2,1-2H3;1H/t14-,16+;/m1./s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 139n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair