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Target
Sequence
Name
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
Clc1c2CCNCCc2ccc1C#N
InChI Key:
InChIKey=NTEHDSZFCGIGOK-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
3
hits for monomerid = 50375899
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))
BDBM50375899
(CHEMBL406585)
Show SMILES
Clc1c2CCNCCc2ccc1C#N
Show InChI
InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Astellas Pharma Inc.
Curated by
ChEMBL
Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells
Bioorg Med Chem
16:
3309
-
20
(2008)
Article DOI:
10.1016/j.bmc.2007.12.009
BindingDB Entry DOI:
10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50375899
(CHEMBL406585)
Show SMILES
Clc1c2CCNCCc2ccc1C#N
Show InChI
InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Astellas Pharma Inc.
Curated by
ChEMBL
Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells
Bioorg Med Chem
16:
3309
-
20
(2008)
Article DOI:
10.1016/j.bmc.2007.12.009
BindingDB Entry DOI:
10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human))
BDBM50375899
(CHEMBL406585)
Show SMILES
Clc1c2CCNCCc2ccc1C#N
Show InChI
InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
65
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Astellas Pharma Inc.
Curated by
ChEMBL
Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells
Bioorg Med Chem
16:
3309
-
20
(2008)
Article DOI:
10.1016/j.bmc.2007.12.009
BindingDB Entry DOI:
10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
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