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SMILES: Cl.NC[C@H]1C[C@]1(F)c1cccc(F)c1

InChI Key: InChIKey=WWBXYAHFUIPNKA-SCYNACPDSA-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 6 hits for monomerid = 50515731   
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 2C


(Homo sapiens (Human))
BDBM50515731
PNG
(CHEMBL4466591)
Show SMILES Cl.NC[C@H]1C[C@]1(F)c1cccc(F)c1 |r|
Show InChI InChI=1S/C10H11F2N.ClH/c11-9-3-1-2-7(4-9)10(12)5-8(10)6-13;/h1-4,8H,5-6,13H2;1H/t8-,10+;/m1./s1
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n/an/an/an/a 2.80n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human unedited 5HT2C receptor isoform INI expressed in Flp-In-293 cells assessed as increase in calcium influx measur...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50515731
PNG
(CHEMBL4466591)
Show SMILES Cl.NC[C@H]1C[C@]1(F)c1cccc(F)c1 |r|
Show InChI InChI=1S/C10H11F2N.ClH/c11-9-3-1-2-7(4-9)10(12)5-8(10)6-13;/h1-4,8H,5-6,13H2;1H/t8-,10+;/m1./s1
Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human unedited 5HT2C receptor isoform INI expressed in Flp-In-293 cells assessed as increase in calcium influx measur...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50515731
PNG
(CHEMBL4466591)
Show SMILES Cl.NC[C@H]1C[C@]1(F)c1cccc(F)c1 |r|
Show InChI InChI=1S/C10H11F2N.ClH/c11-9-3-1-2-7(4-9)10(12)5-8(10)6-13;/h1-4,8H,5-6,13H2;1H/t8-,10+;/m1./s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fl...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50515731
PNG
(CHEMBL4466591)
Show SMILES Cl.NC[C@H]1C[C@]1(F)c1cccc(F)c1 |r|
Show InChI InChI=1S/C10H11F2N.ClH/c11-9-3-1-2-7(4-9)10(12)5-8(10)6-13;/h1-4,8H,5-6,13H2;1H/t8-,10+;/m1./s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fl...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50515731
PNG
(CHEMBL4466591)
Show SMILES Cl.NC[C@H]1C[C@]1(F)c1cccc(F)c1 |r|
Show InChI InChI=1S/C10H11F2N.ClH/c11-9-3-1-2-7(4-9)10(12)5-8(10)6-13;/h1-4,8H,5-6,13H2;1H/t8-,10+;/m1./s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fl...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50515731
PNG
(CHEMBL4466591)
Show SMILES Cl.NC[C@H]1C[C@]1(F)c1cccc(F)c1 |r|
Show InChI InChI=1S/C10H11F2N.ClH/c11-9-3-1-2-7(4-9)10(12)5-8(10)6-13;/h1-4,8H,5-6,13H2;1H/t8-,10+;/m1./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fl...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
More data for this
Ligand-Target Pair