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BDBM50413082 CHEMBL490211

SMILES: O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1

InChI Key: InChIKey=BPWHCSFECAFTAM-UHFFFAOYSA-N

Data: 4 KI

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 = 50413082   
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 1D


(Homo sapiens (Human))
BDBM50413082
PNG
(CHEMBL490211)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-6-5-17(15-20(21)25-22)8-10-26-11-13-27(14-12-26)23-19-4-2-1-3-18(19)7-9-24-23/h1-7,9,15H,8,10-14,16H2,(H,25,28)
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PC cid
PC sid
UniChem
Article
PubMed
0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50413082
PNG
(CHEMBL490211)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-6-5-17(15-20(21)25-22)8-10-26-11-13-27(14-12-26)23-19-4-2-1-3-18(19)7-9-24-23/h1-7,9,15H,8,10-14,16H2,(H,25,28)
PDB

Reactome pathway
KEGG

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UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50413082
PNG
(CHEMBL490211)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-6-5-17(15-20(21)25-22)8-10-26-11-13-27(14-12-26)23-19-4-2-1-3-18(19)7-9-24-23/h1-7,9,15H,8,10-14,16H2,(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SerT expressed pig LLCPK cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50413082
PNG
(CHEMBL490211)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-6-5-17(15-20(21)25-22)8-10-26-11-13-27(14-12-26)23-19-4-2-1-3-18(19)7-9-24-23/h1-7,9,15H,8,10-14,16H2,(H,25,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair