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SMILES: Clc1ccccc1Cc1cc2CCNCCc2nn1

InChI Key: InChIKey=BLIFDCIRZMVZIN-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 6 hits for monomerid = 50532831   
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))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
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PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 800n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 800n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
More data for this
Ligand-Target Pair