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BDBM50031354 CHEMBL3358100

SMILES: Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1

InChI Key: InChIKey=UVSLSTOAZHUYRU-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 = 50031354   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031354
PNG
(CHEMBL3358100)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O/c1-20-7-6-10-23(17-20)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-18-21-8-2-3-9-22(21)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)
UniProtKB/SwissProt

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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50031354
PNG
(CHEMBL3358100)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O/c1-20-7-6-10-23(17-20)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-18-21-8-2-3-9-22(21)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)
UniProtKB/SwissProt

antibodypedia
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PC sid
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50031354
PNG
(CHEMBL3358100)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O/c1-20-7-6-10-23(17-20)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-18-21-8-2-3-9-22(21)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)
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KEGG

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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50031354
PNG
(CHEMBL3358100)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O/c1-20-7-6-10-23(17-20)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-18-21-8-2-3-9-22(21)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

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169n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50031354
PNG
(CHEMBL3358100)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O/c1-20-7-6-10-23(17-20)29-15-13-28(14-16-29)12-5-4-11-26-25(30)24-18-21-8-2-3-9-22(21)19-27-24/h2-3,6-10,17-19H,4-5,11-16H2,1H3,(H,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
286n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor (unknown origin)


J Med Chem 57: 9578-97 (2014)


Article DOI: 10.1021/jm501119j
BindingDB Entry DOI: 10.7270/Q2571DM0
More data for this
Ligand-Target Pair