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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
Kd
EC50
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BDBM50025197
CHEMBL96816
SMILES:
CC(N)Cc1c[nH]c2ccc(F)cc12
InChI Key:
Data:
2
KI
5
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
7
hits for monomerid = 50025197
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human))
BDBM50025197
(CHEMBL96816)
Show SMILES
CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
F. Hoffmann-La Roche Inc
Curated by
ChEMBL
Assay Description
Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB
J Med Chem
40:
2762
-
9
(1997)
Article DOI:
10.1021/jm970030l
BindingDB Entry DOI:
10.7270/Q270845Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50025197
(CHEMBL96816)
Show SMILES
CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
63
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
F. Hoffmann-La Roche Inc
Curated by
ChEMBL
Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor using displacement of [3H]5-HT
J Med Chem
40:
2762
-
9
(1997)
Article DOI:
10.1021/jm970030l
BindingDB Entry DOI:
10.7270/Q270845Q
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters
(Rattus norvegicus)
BDBM50025197
(CHEMBL96816)
Show SMILES
CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI
Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
n/a
n/a
78
n/a
n/a
n/a
n/a
Research Triangle Institute
Curated by
ChEMBL
Assay Description
Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay
Bioorg Med Chem Lett
24:
4754
-
8
(2014)
Article DOI:
10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI:
10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
(Rattus norvegicus (Rat))
BDBM50025197
(CHEMBL96816)
Show SMILES
CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
n/a
n/a
158
n/a
n/a
n/a
n/a
F. Hoffmann-La Roche Inc
Curated by
ChEMBL
Assay Description
Efficacy (pEC50) was evaluated for 5-HT2C receptor-mediated stimulation of IP3 formation in vitro in choroid plexus of the rat
J Med Chem
40:
2762
-
9
(1997)
Article DOI:
10.1021/jm970030l
BindingDB Entry DOI:
10.7270/Q270845Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
BDBM50025197
(CHEMBL96816)
Show SMILES
CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
n/a
n/a
14
n/a
n/a
n/a
n/a
Research Triangle Institute
Curated by
ChEMBL
Assay Description
Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay
Bioorg Med Chem Lett
24:
4754
-
8
(2014)
Article DOI:
10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI:
10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat))
BDBM50025197
(CHEMBL96816)
Show SMILES
CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
n/a
n/a
37
n/a
n/a
n/a
n/a
Research Triangle Institute
Curated by
ChEMBL
Assay Description
Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay
Bioorg Med Chem Lett
24:
4754
-
8
(2014)
Article DOI:
10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI:
10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50025197
(CHEMBL96816)
Show SMILES
CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
n/a
n/a
8.5
n/a
n/a
n/a
n/a
Research Triangle Institute
Curated by
ChEMBL
Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay
Bioorg Med Chem Lett
24:
4754
-
8
(2014)
Article DOI:
10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI:
10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
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