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BDBM50210084 (R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylmethyl)-benzo[1,2-b;4,5-b']difuran-4-yl]-ethylamine::CHEMBL234682

SMILES: C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12

InChI Key: InChIKey=UNRRKECLBBYMNW-SECBINFHSA-N

Data: 1 IC50  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 4 hits for monomerid = 50210084   
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 2A


(Rattus norvegicus (rat))
BDBM50210084
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
Show InChI InChI=1S/C17H17N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h3-6,9H,7-8,18H2,1-2H3/t9-/m1/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16.9n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50210084
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
Show InChI InChI=1S/C17H17N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h3-6,9H,7-8,18H2,1-2H3/t9-/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.380n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50210084
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
Show InChI InChI=1S/C17H17N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h3-6,9H,7-8,18H2,1-2H3/t9-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 23n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210084
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
Show InChI InChI=1S/C17H17N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h3-6,9H,7-8,18H2,1-2H3/t9-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 82n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair