new BindingDB logo
myBDB logout

BDBM50406779 CHEMBL38104

SMILES: CNC(=O)c1ccc(cc1)-c1noc(Cc2ccc3[nH]cc(CCN(C)C)c3c2)n1

InChI Key: InChIKey=PRTCSIDNPRTJHA-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50406779   
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 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50406779
PNG
(CHEMBL38104)
Show SMILES CNC(=O)c1ccc(cc1)-c1noc(Cc2ccc3[nH]cc(CCN(C)C)c3c2)n1
Show InChI InChI=1S/C23H25N5O2/c1-24-23(29)17-7-5-16(6-8-17)22-26-21(30-27-22)13-15-4-9-20-19(12-15)18(14-25-20)10-11-28(2)3/h4-9,12,14,25H,10-11,13H2,1-3H3,(H,24,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]5-HT binding to 5-hydroxytryptamine 1D receptor in pig caudate membrane


J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair