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BDBM50410437 CHEMBL370625

SMILES: CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12

InChI Key: InChIKey=WBFASLOAEQLKGO-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 = 50410437   
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 1B


(Homo sapiens (Human))
BDBM50410437
PNG
(CHEMBL370625)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12
Show InChI InChI=1S/C26H25N5O/c1-29-12-14-30(15-13-29)25-22-17-24-19(16-18(22)7-10-28-25)8-11-31(24)26(32)21-4-2-6-23-20(21)5-3-9-27-23/h2-7,9-10,16-17H,8,11-15H2,1H3
PDB

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PC sid
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410437
PNG
(CHEMBL370625)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12
Show InChI InChI=1S/C26H25N5O/c1-29-12-14-30(15-13-29)25-22-17-24-19(16-18(22)7-10-28-25)8-11-31(24)26(32)21-4-2-6-23-20(21)5-3-9-27-23/h2-7,9-10,16-17H,8,11-15H2,1H3
Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410437
PNG
(CHEMBL370625)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12
Show InChI InChI=1S/C26H25N5O/c1-29-12-14-30(15-13-29)25-22-17-24-19(16-18(22)7-10-28-25)8-11-31(24)26(32)21-4-2-6-23-20(21)5-3-9-27-23/h2-7,9-10,16-17H,8,11-15H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair