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SMILES: Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C

InChI Key: InChIKey=VLHYFLPLTQFSPU-UHFFFAOYSA-N

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 = 50031449   
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))
BDBM50031449
PNG
(CHEMBL3358493)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
Show InChI InChI=1S/C25H31N3O2/c1-19-8-7-10-22(20(19)2)28-16-14-27(15-17-28)13-6-5-12-26-25(29)24-18-21-9-3-4-11-23(21)30-24/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,26,29)
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PubMed
0.400n/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 2A


(Homo sapiens (Human))
BDBM50031449
PNG
(CHEMBL3358493)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
Show InChI InChI=1S/C25H31N3O2/c1-19-8-7-10-22(20(19)2)28-16-14-27(15-17-28)13-6-5-12-26-25(29)24-18-21-9-3-4-11-23(21)30-24/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,26,29)
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PubMed
3.60n/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 1A


(Homo sapiens (Human))
BDBM50031449
PNG
(CHEMBL3358493)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
Show InChI InChI=1S/C25H31N3O2/c1-19-8-7-10-22(20(19)2)28-16-14-27(15-17-28)13-6-5-12-26-25(29)24-18-21-9-3-4-11-23(21)30-24/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,26,29)
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PubMed
4n/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 2C


(Homo sapiens (Human))
BDBM50031449
PNG
(CHEMBL3358493)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
Show InChI InChI=1S/C25H31N3O2/c1-19-8-7-10-22(20(19)2)28-16-14-27(15-17-28)13-6-5-12-26-25(29)24-18-21-9-3-4-11-23(21)30-24/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,26,29)
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PubMed
17n/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))
BDBM50031449
PNG
(CHEMBL3358493)
Show SMILES Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
Show InChI InChI=1S/C25H31N3O2/c1-19-8-7-10-22(20(19)2)28-16-14-27(15-17-28)13-6-5-12-26-25(29)24-18-21-9-3-4-11-23(21)30-24/h3-4,7-11,18H,5-6,12-17H2,1-2H3,(H,26,29)
PDB

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Article
PubMed
85n/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