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BDBM50079950 CHEMBL430698::N-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-N'-pyrimidin-2-yl-ethane-1,2-diamine

SMILES: C(CNc1ncccn1)NCC1COc2ccccc2O1

InChI Key: InChIKey=OHNWVGRHHDSMOD-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50079950   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50079950
PNG
(CHEMBL430698 | N-(2,3-Dihydro-benzo[1,4]dioxin-2-y...)
Show SMILES C(CNc1ncccn1)NCC1COc2ccccc2O1
Show InChI InChI=1S/C15H18N4O2/c1-2-5-14-13(4-1)20-11-12(21-14)10-16-8-9-19-15-17-6-3-7-18-15/h1-7,12,16H,8-11H2,(H,17,18,19)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.10n/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))
BDBM50079950
PNG
(CHEMBL430698 | N-(2,3-Dihydro-benzo[1,4]dioxin-2-y...)
Show SMILES C(CNc1ncccn1)NCC1COc2ccccc2O1
Show InChI InChI=1S/C15H18N4O2/c1-2-5-14-13(4-1)20-11-12(21-14)10-16-8-9-19-15-17-6-3-7-18-15/h1-7,12,16H,8-11H2,(H,17,18,19)
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/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