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BDBM50459717 CHEMBL4209572

SMILES: [H][C@]12CCc3cccnc3N1CCNC2

InChI Key: InChIKey=NDVQTLLBHWRZQL-SNVBAGLBSA-N

Data: 3 EC50

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 = 50459717   
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 2B


(Homo sapiens (Human))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/t10-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 61n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at recombinant 5-HT2B receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulati...


ACS Med Chem Lett 9: 864-865 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00328
BindingDB Entry DOI: 10.7270/Q2XS5Z0D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/t10-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 93n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at recombinant 5-HT2C receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulati...


ACS Med Chem Lett 9: 864-865 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00328
BindingDB Entry DOI: 10.7270/Q2XS5Z0D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/t10-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 100n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/t10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<1.00E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/t10-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 63n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50459717
PNG
(CHEMBL4209572)
Show SMILES [H][C@]12CCc3cccnc3N1CCNC2 |r|
Show InChI InChI=1S/C11H15N3/c1-2-9-3-4-10-8-12-6-7-14(10)11(9)13-5-1/h1-2,5,10,12H,3-4,6-8H2/t10-/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 1.00E+5n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at recombinant 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulati...


ACS Med Chem Lett 9: 864-865 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00328
BindingDB Entry DOI: 10.7270/Q2XS5Z0D
More data for this
Ligand-Target Pair