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BDBM50171401 CHEMBL3805860

SMILES: CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2nsc3ccccc23)c1

InChI Key: InChIKey=DGEARUMAQJGDTJ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50171401   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171401
PNG
(CHEMBL3805860)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2nsc3ccccc23)c1
Show InChI InChI=1S/C23H28N4O2S/c1-24-23(28)18-7-6-8-19(17-18)29-16-5-4-11-26-12-14-27(15-13-26)22-20-9-2-3-10-21(20)30-25-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,28)
PDB

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171401
PNG
(CHEMBL3805860)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2nsc3ccccc23)c1
Show InChI InChI=1S/C23H28N4O2S/c1-24-23(28)18-7-6-8-19(17-18)29-16-5-4-11-26-12-14-27(15-13-26)22-20-9-2-3-10-21(20)30-25-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,28)
MMDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50171401
PNG
(CHEMBL3805860)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2nsc3ccccc23)c1
Show InChI InChI=1S/C23H28N4O2S/c1-24-23(28)18-7-6-8-19(17-18)29-16-5-4-11-26-12-14-27(15-13-26)22-20-9-2-3-10-21(20)30-25-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,28)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.30n/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Agonistic activity at human 5-HT1A receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair