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BDBM50413700 CHEMBL459068

SMILES: CC(=O)N1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1

InChI Key: InChIKey=VNCBQAWGECHWAH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50413700   
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))
BDBM50413700
PNG
(CHEMBL459068)
Show SMILES CC(=O)N1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C31H39N3O2/c1-23-9-10-29-30(32-23)7-4-8-31(29)36-20-19-33-15-11-25(12-16-33)21-26-5-3-6-28(22-26)27-13-17-34(18-14-27)24(2)35/h3-10,22,25,27H,11-21H2,1-2H3
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PC sid
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PubMed
3.98n/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 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413700
PNG
(CHEMBL459068)
Show SMILES CC(=O)N1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C31H39N3O2/c1-23-9-10-29-30(32-23)7-4-8-31(29)36-20-19-33-15-11-25(12-16-33)21-26-5-3-6-28(22-26)27-13-17-34(18-14-27)24(2)35/h3-10,22,25,27H,11-21H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]WAY100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50413700
PNG
(CHEMBL459068)
Show SMILES CC(=O)N1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C31H39N3O2/c1-23-9-10-29-30(32-23)7-4-8-31(29)36-20-19-33-15-11-25(12-16-33)21-26-5-3-6-28(22-26)27-13-17-34(18-14-27)24(2)35/h3-10,22,25,27H,11-21H2,1-2H3
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
158n/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 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair