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BDBM50413705 CHEMBL456460

SMILES: Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccoc4)CC3)cccc2n1

InChI Key: InChIKey=STBMJTIPGVULBR-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 = 50413705   
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))
BDBM50413705
PNG
(CHEMBL456460)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccoc4)CC3)cccc2n1
Show InChI InChI=1S/C28H30N2O2/c1-21-8-9-26-27(29-21)6-3-7-28(26)32-17-15-30-13-10-22(11-14-30)18-23-4-2-5-24(19-23)25-12-16-31-20-25/h2-9,12,16,19-20,22H,10-11,13-15,17-18H2,1H3
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PC sid
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Article
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6.31n/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))
BDBM50413705
PNG
(CHEMBL456460)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccoc4)CC3)cccc2n1
Show InChI InChI=1S/C28H30N2O2/c1-21-8-9-26-27(29-21)6-3-7-28(26)32-17-15-30-13-10-22(11-14-30)18-23-4-2-5-24(19-23)25-12-16-31-20-25/h2-9,12,16,19-20,22H,10-11,13-15,17-18H2,1H3
UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
31.6n/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))
BDBM50413705
PNG
(CHEMBL456460)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccoc4)CC3)cccc2n1
Show InChI InChI=1S/C28H30N2O2/c1-21-8-9-26-27(29-21)6-3-7-28(26)32-17-15-30-13-10-22(11-14-30)18-23-4-2-5-24(19-23)25-12-16-31-20-25/h2-9,12,16,19-20,22H,10-11,13-15,17-18H2,1H3
PDB

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Article
PubMed
39.8n/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