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BDBM50384960 CHEMBL2037519

SMILES: O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1

InChI Key: InChIKey=ITMQGDDPFZOVDW-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 = 50384960   
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
Dopamine receptor


(RAT)
BDBM50384960
PNG
(CHEMBL2037519)
Show SMILES O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N5OS/c25-16(18-22-15-5-1-2-7-17(15)26-18)6-3-10-23-11-13-24(14-12-23)19-20-8-4-9-21-19/h1-2,4-5,7-9H,3,6,10-14H2
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PubMed
51.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting


Eur J Med Chem 53: 124-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.042
BindingDB Entry DOI: 10.7270/Q2PN96NS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50384960
PNG
(CHEMBL2037519)
Show SMILES O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N5OS/c25-16(18-22-15-5-1-2-7-17(15)26-18)6-3-10-23-11-13-24(14-12-23)19-20-8-4-9-21-19/h1-2,4-5,7-9H,3,6,10-14H2
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UniChem

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Article
PubMed
63n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting


Eur J Med Chem 53: 124-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.042
BindingDB Entry DOI: 10.7270/Q2PN96NS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50384960
PNG
(CHEMBL2037519)
Show SMILES O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N5OS/c25-16(18-22-15-5-1-2-7-17(15)26-18)6-3-10-23-11-13-24(14-12-23)19-20-8-4-9-21-19/h1-2,4-5,7-9H,3,6,10-14H2
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PubMed
1.52E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting


Eur J Med Chem 53: 124-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.042
BindingDB Entry DOI: 10.7270/Q2PN96NS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50384960
PNG
(CHEMBL2037519)
Show SMILES O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N5OS/c25-16(18-22-15-5-1-2-7-17(15)26-18)6-3-10-23-11-13-24(14-12-23)19-20-8-4-9-21-19/h1-2,4-5,7-9H,3,6,10-14H2
PDB
MMDB

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2.21E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5HT2A receptor by liquid scintillation counting


Eur J Med Chem 53: 124-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.042
BindingDB Entry DOI: 10.7270/Q2PN96NS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50384960
PNG
(CHEMBL2037519)
Show SMILES O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N5OS/c25-16(18-22-15-5-1-2-7-17(15)26-18)6-3-10-23-11-13-24(14-12-23)19-20-8-4-9-21-19/h1-2,4-5,7-9H,3,6,10-14H2
Reactome pathway
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PC sid
UniChem

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Article
PubMed
2.47E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor by liquid scintillation counting


Eur J Med Chem 53: 124-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.042
BindingDB Entry DOI: 10.7270/Q2PN96NS
More data for this
Ligand-Target Pair