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BDBM50031444 CHEMBL3358516

SMILES: Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1

InChI Key: InChIKey=CHWNCWDZWSQLTG-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 = 50031444   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50031444
PNG
(CHEMBL3358516)
Show SMILES Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H27N5O/c1-17-7-6-9-19(23-17)25-15-13-24(14-16-25)12-5-4-11-22-20(26)18-8-2-3-10-21-18/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/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))
BDBM50031444
PNG
(CHEMBL3358516)
Show SMILES Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H27N5O/c1-17-7-6-9-19(23-17)25-15-13-24(14-16-25)12-5-4-11-22-20(26)18-8-2-3-10-21-18/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
240n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50031444
PNG
(CHEMBL3358516)
Show SMILES Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H27N5O/c1-17-7-6-9-19(23-17)25-15-13-24(14-16-25)12-5-4-11-22-20(26)18-8-2-3-10-21-18/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50031444
PNG
(CHEMBL3358516)
Show SMILES Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H27N5O/c1-17-7-6-9-19(23-17)25-15-13-24(14-16-25)12-5-4-11-22-20(26)18-8-2-3-10-21-18/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50031444
PNG
(CHEMBL3358516)
Show SMILES Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
Show InChI InChI=1S/C20H27N5O/c1-17-7-6-9-19(23-17)25-15-13-24(14-16-25)12-5-4-11-22-20(26)18-8-2-3-10-21-18/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/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