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BDBM50079940 CHEMBL324076::[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-ylmethyl]-pyrimidin-2-yl-amine

SMILES: C(Nc1ncccn1)C1CCN(CC2COc3ccccc3O2)CC1

InChI Key: InChIKey=OLBKIOIWVFSFFV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50079940   
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50079940
PNG
(CHEMBL324076 | [1-(2,3-Dihydro-benzo[1,4]dioxin-2-...)
Show SMILES C(Nc1ncccn1)C1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-2-5-18-17(4-1)24-14-16(25-18)13-23-10-6-15(7-11-23)12-22-19-20-8-3-9-21-19/h1-5,8-9,15-16H,6-7,10-14H2,(H,20,21,22)
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PC sid
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6.90n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the dopamine receptor D2L in rat brain membranes


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50079940
PNG
(CHEMBL324076 | [1-(2,3-Dihydro-benzo[1,4]dioxin-2-...)
Show SMILES C(Nc1ncccn1)C1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-2-5-18-17(4-1)24-14-16(25-18)13-23-10-6-15(7-11-23)12-22-19-20-8-3-9-21-19/h1-5,8-9,15-16H,6-7,10-14H2,(H,20,21,22)
KEGG

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21n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50079940
PNG
(CHEMBL324076 | [1-(2,3-Dihydro-benzo[1,4]dioxin-2-...)
Show SMILES C(Nc1ncccn1)C1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-2-5-18-17(4-1)24-14-16(25-18)13-23-10-6-15(7-11-23)12-22-19-20-8-3-9-21-19/h1-5,8-9,15-16H,6-7,10-14H2,(H,20,21,22)
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112n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the dopamine receptor D2L in rat brain membranes


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50079940
PNG
(CHEMBL324076 | [1-(2,3-Dihydro-benzo[1,4]dioxin-2-...)
Show SMILES C(Nc1ncccn1)C1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C19H24N4O2/c1-2-5-18-17(4-1)24-14-16(25-18)13-23-10-6-15(7-11-23)12-22-19-20-8-3-9-21-19/h1-5,8-9,15-16H,6-7,10-14H2,(H,20,21,22)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
463n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair