BindingDB logo
myBDB logout

BDBM50034797 CHEMBL3361000

SMILES: Cl.COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1

InChI Key: InChIKey=YMJMBHOKHYLUDZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50034797   
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


(Rattus norvegicus (rat))
BDBM50034797
PNG
(CHEMBL3361000)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Show InChI InChI=1S/C23H32N6O3.ClH/c1-25-21-20(22(30)26(2)23(25)31)29(17-24-21)12-8-4-7-11-27-13-15-28(16-14-27)18-9-5-6-10-19(18)32-3;/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3;1H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50034797
PNG
(CHEMBL3361000)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Show InChI InChI=1S/C23H32N6O3.ClH/c1-25-21-20(22(30)26(2)23(25)31)29(17-24-21)12-8-4-7-11-27-13-15-28(16-14-27)18-9-5-6-10-19(18)32-3;/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50034797
PNG
(CHEMBL3361000)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Show InChI InChI=1S/C23H32N6O3.ClH/c1-25-21-20(22(30)26(2)23(25)31)29(17-24-21)12-8-4-7-11-27-13-15-28(16-14-27)18-9-5-6-10-19(18)32-3;/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3;1H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
294n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]]-5-CT from human cloned 5-HT7R expressed in HEK293 cells


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50034797
PNG
(CHEMBL3361000)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Show InChI InChI=1S/C23H32N6O3.ClH/c1-25-21-20(22(30)26(2)23(25)31)29(17-24-21)12-8-4-7-11-27-13-15-28(16-14-27)18-9-5-6-10-19(18)32-3;/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3;1H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
598n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-HT2AR in rat cortex


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50034797
PNG
(CHEMBL3361000)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Show InChI InChI=1S/C23H32N6O3.ClH/c1-25-21-20(22(30)26(2)23(25)31)29(17-24-21)12-8-4-7-11-27-13-15-28(16-14-27)18-9-5-6-10-19(18)32-3;/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3;1H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.99E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair