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BDBM50406773 CHEMBL290587

SMILES: CN(C)CCc1c[nH]c2ccc(CCc3nc(N)no3)cc12

InChI Key: InChIKey=CVSXIEGQYNXATH-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50406773   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50406773
PNG
(CHEMBL290587)
Show SMILES CN(C)CCc1c[nH]c2ccc(CCc3nc(N)no3)cc12
Show InChI InChI=1S/C16H21N5O/c1-21(2)8-7-12-10-18-14-5-3-11(9-13(12)14)4-6-15-19-16(17)20-22-15/h3,5,9-10,18H,4,6-8H2,1-2H3,(H2,17,20)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 50n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from pig cortex 5-hydroxytryptamine 1A receptor


J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50406773
PNG
(CHEMBL290587)
Show SMILES CN(C)CCc1c[nH]c2ccc(CCc3nc(N)no3)cc12
Show InChI InChI=1S/C16H21N5O/c1-21(2)8-7-12-10-18-14-5-3-11(9-13(12)14)4-6-15-19-16(17)20-22-15/h3,5,9-10,18H,4,6-8H2,1-2H3,(H2,17,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 13n/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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50406773
PNG
(CHEMBL290587)
Show SMILES CN(C)CCc1c[nH]c2ccc(CCc3nc(N)no3)cc12
Show InChI InChI=1S/C16H21N5O/c1-21(2)8-7-12-10-18-14-5-3-11(9-13(12)14)4-6-15-19-16(17)20-22-15/h3,5,9-10,18H,4,6-8H2,1-2H3,(H2,17,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL




J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50406773
PNG
(CHEMBL290587)
Show SMILES CN(C)CCc1c[nH]c2ccc(CCc3nc(N)no3)cc12
Show InChI InChI=1S/C16H21N5O/c1-21(2)8-7-12-10-18-14-5-3-11(9-13(12)14)4-6-15-19-16(17)20-22-15/h3,5,9-10,18H,4,6-8H2,1-2H3,(H2,17,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor


J Med Chem 36: 1529-38 (1993)


BindingDB Entry DOI: 10.7270/Q22V2HB9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50406773
PNG
(CHEMBL290587)
Show SMILES CN(C)CCc1c[nH]c2ccc(CCc3nc(N)no3)cc12
Show InChI InChI=1S/C16H21N5O/c1-21(2)8-7-12-10-18-14-5-3-11(9-13(12)14)4-6-15-19-16(17)20-22-15/h3,5,9-10,18H,4,6-8H2,1-2H3,(H2,17,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from pig cortex 5-hydroxytryptamine 1C receptor


J Med Chem 36: 1529-38 (1993)


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