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BDBM50086854 5-Methoxy-2,3-dihydro-benzofuran-7-carboxylic acid ((S)-1-phenethyl-pyrrolidin-2-ylmethyl)-amide::CHEMBL148352

SMILES: COc1cc2CCOc2c(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1

InChI Key: InChIKey=UTHCVWLWDKDKNF-IBGZPJMESA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50086854   
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 1A


(Rattus norvegicus (rat))
BDBM50086854
PNG
(5-Methoxy-2,3-dihydro-benzofuran-7-carboxylic acid...)
Show SMILES COc1cc2CCOc2c(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-27-20-14-18-10-13-28-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m0/s1
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PC cid
PC sid
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Similars

PubMed
21n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50086854
PNG
(5-Methoxy-2,3-dihydro-benzofuran-7-carboxylic acid...)
Show SMILES COc1cc2CCOc2c(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-27-20-14-18-10-13-28-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m0/s1
PDB

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PC cid
PC sid
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PubMed
120n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50086854
PNG
(5-Methoxy-2,3-dihydro-benzofuran-7-carboxylic acid...)
Show SMILES COc1cc2CCOc2c(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
Show InChI InChI=1S/C23H28N2O3/c1-27-20-14-18-10-13-28-22(18)21(15-20)23(26)24-16-19-8-5-11-25(19)12-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,19H,5,8-13,16H2,1H3,(H,24,26)/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
660n/an/an/an/an/an/an/an/a



Yoshitomi Pharmaceutical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor from striata of male Wistar rats by displacement of [3H]ketanserin


Bioorg Med Chem Lett 10: 509-12 (2000)


BindingDB Entry DOI: 10.7270/Q24Q7T7T
More data for this
Ligand-Target Pair