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SMILES: COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl

InChI Key: InChIKey=JGMDYLOFCDBBNK-VIFPVBQESA-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 = 50205872   
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))
BDBM50205872
PNG
((R)-8-chloro-7-methoxy-1,3,4,10b-tetrahydropyrazin...)
Show SMILES COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl
Show InChI InChI=1S/C12H13ClN2O2/c1-17-11-8(13)3-2-7-9-6-14-4-5-15(9)12(16)10(7)11/h2-3,9,14H,4-6H2,1H3/t9-/m0/s1
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Article
PubMed
86n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT2B expressed in HEK293E cells


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50205872
PNG
((R)-8-chloro-7-methoxy-1,3,4,10b-tetrahydropyrazin...)
Show SMILES COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl
Show InChI InChI=1S/C12H13ClN2O2/c1-17-11-8(13)3-2-7-9-6-14-4-5-15(9)12(16)10(7)11/h2-3,9,14H,4-6H2,1H3/t9-/m0/s1
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Article
PubMed
176n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C expressed in HEK293E cells


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205872
PNG
((R)-8-chloro-7-methoxy-1,3,4,10b-tetrahydropyrazin...)
Show SMILES COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl
Show InChI InChI=1S/C12H13ClN2O2/c1-17-11-8(13)3-2-7-9-6-14-4-5-15(9)12(16)10(7)11/h2-3,9,14H,4-6H2,1H3/t9-/m0/s1
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Article
PubMed
813n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A expressed in HEK293E cells


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50205872
PNG
((R)-8-chloro-7-methoxy-1,3,4,10b-tetrahydropyrazin...)
Show SMILES COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl
Show InChI InChI=1S/C12H13ClN2O2/c1-17-11-8(13)3-2-7-9-6-14-4-5-15(9)12(16)10(7)11/h2-3,9,14H,4-6H2,1H3/t9-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2C expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50205872
PNG
((R)-8-chloro-7-methoxy-1,3,4,10b-tetrahydropyrazin...)
Show SMILES COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl
Show InChI InChI=1S/C12H13ClN2O2/c1-17-11-8(13)3-2-7-9-6-14-4-5-15(9)12(16)10(7)11/h2-3,9,14H,4-6H2,1H3/t9-/m0/s1
PDB

Reactome pathway
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 28n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2B expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205872
PNG
((R)-8-chloro-7-methoxy-1,3,4,10b-tetrahydropyrazin...)
Show SMILES COc1c2C(=O)N3CCNC[C@H]3c2ccc1Cl
Show InChI InChI=1S/C12H13ClN2O2/c1-17-11-8(13)3-2-7-9-6-14-4-5-15(9)12(16)10(7)11/h2-3,9,14H,4-6H2,1H3/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 872n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2A expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair