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BDBM50469527 CHEMBL4289001

SMILES: O=C(CCN1CCN(CC1)c1nsc2ccccc12)c1cc2CCCN3C(=O)CCc(c1)c23

InChI Key: InChIKey=IMIYBLLQQOUBRO-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50469527   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50469527
PNG
(CHEMBL4289001)
Show SMILES O=C(CCN1CCN(CC1)c1nsc2ccccc12)c1cc2CCCN3C(=O)CCc(c1)c23
Show InChI InChI=1S/C26H28N4O2S/c31-22(20-16-18-4-3-10-30-24(32)8-7-19(17-20)25(18)30)9-11-28-12-14-29(15-13-28)26-21-5-1-2-6-23(21)33-27-26/h1-2,5-6,16-17H,3-4,7-15H2
PDB

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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
72n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserine from serotonin 5-HT2A receptor in rat brain cortex homogenates incubated for 30 mins by liquid scintillation countin...


J Med Chem 61: 10017-10039 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01096
BindingDB Entry DOI: 10.7270/Q2NS0XK7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50469527
PNG
(CHEMBL4289001)
Show SMILES O=C(CCN1CCN(CC1)c1nsc2ccccc12)c1cc2CCCN3C(=O)CCc(c1)c23
Show InChI InChI=1S/C26H28N4O2S/c31-22(20-16-18-4-3-10-30-24(32)8-7-19(17-20)25(18)30)9-11-28-12-14-29(15-13-28)26-21-5-1-2-6-23(21)33-27-26/h1-2,5-6,16-17H,3-4,7-15H2
PDB

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PC cid
PC sid
UniChem
Article
PubMed
129n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from serotonin 5-HT1A receptor in rat brain cortex homogenates incubated for 30 mins by liquid scintillation counting


J Med Chem 61: 10017-10039 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01096
BindingDB Entry DOI: 10.7270/Q2NS0XK7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50469527
PNG
(CHEMBL4289001)
Show SMILES O=C(CCN1CCN(CC1)c1nsc2ccccc12)c1cc2CCCN3C(=O)CCc(c1)c23
Show InChI InChI=1S/C26H28N4O2S/c31-22(20-16-18-4-3-10-30-24(32)8-7-19(17-20)25(18)30)9-11-28-12-14-29(15-13-28)26-21-5-1-2-6-23(21)33-27-26/h1-2,5-6,16-17H,3-4,7-15H2
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
182n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum homogenates after 30 mins by liquid scintillation counting


J Med Chem 61: 10017-10039 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01096
BindingDB Entry DOI: 10.7270/Q2NS0XK7
More data for this
Ligand-Target Pair