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BDBM50475179 CHEMBL191921

SMILES: Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1

InChI Key: InChIKey=RDRCWUAGNOMDCY-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 = 50475179   
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))
BDBM50475179
PNG
(CHEMBL191921)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-25(28-20)8-3-9-26(23)31-18-17-29-13-15-30(16-14-29)19-21-5-2-7-24-22(21)6-4-12-27-24/h2-12H,13-19H2,1H3
PDB

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PC sid
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Article
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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))
BDBM50475179
PNG
(CHEMBL191921)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-25(28-20)8-3-9-26(23)31-18-17-29-13-15-30(16-14-29)19-21-5-2-7-24-22(21)6-4-12-27-24/h2-12H,13-19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
251n/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))
BDBM50475179
PNG
(CHEMBL191921)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-25(28-20)8-3-9-26(23)31-18-17-29-13-15-30(16-14-29)19-21-5-2-7-24-22(21)6-4-12-27-24/h2-12H,13-19H2,1H3
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