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BDBM50331552 CHEMBL1288585::[11C]-(+)-(4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol

SMILES: CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21

InChI Key: InChIKey=JCSREICEMHWFAY-HUUCEWRRSA-N

Data: 2 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 2 hits for monomerid = 50331552   
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))
BDBM50331552
PNG
(CHEMBL1288585 | [11C]-(+)-(4aR,10bR)-4-propyl-3,4,...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 |r|
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50331552
PNG
(CHEMBL1288585 | [11C]-(+)-(4aR,10bR)-4-propyl-3,4,...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21 |r|
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair