BindingDB logo
myBDB logout

BDBM50475182 CHEMBL362992

SMILES: Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1

InChI Key: InChIKey=IOBUHJRBMMLWMQ-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 = 50475182   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50475182
PNG
(CHEMBL362992)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Show InChI InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50475182
PNG
(CHEMBL362992)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Show InChI InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475182
PNG
(CHEMBL362992)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Show InChI InChI=1S/C25H27N5O/c1-19-8-9-21-24(28-19)6-3-7-25(21)31-15-14-29-10-12-30(13-11-29)17-20-4-2-5-23-22(20)16-26-18-27-23/h2-9,16,18H,10-15,17H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair