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SMILES: CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31

InChI Key: InChIKey=SWSVYEJPIAYSGL-GOSISDBHSA-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 4 hits for monomerid = 50336861   
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(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336861
PNG
(CHEMBL1672310 | N-propyl-2-fluoroethoxy-11-monohyd...)
Show SMILES CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO2/c1-2-8-23-9-6-15-11-16(25-10-7-22)13-17-20(15)18(23)12-14-4-3-5-19(24)21(14)17/h3-5,11,13,18,24H,2,6-10,12H2,1H3/t18-/m1/s1
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PubMed
3.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336861
PNG
(CHEMBL1672310 | N-propyl-2-fluoroethoxy-11-monohyd...)
Show SMILES CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO2/c1-2-8-23-9-6-15-11-16(25-10-7-22)13-17-20(15)18(23)12-14-4-3-5-19(24)21(14)17/h3-5,11,13,18,24H,2,6-10,12H2,1H3/t18-/m1/s1
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56n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50336861
PNG
(CHEMBL1672310 | N-propyl-2-fluoroethoxy-11-monohyd...)
Show SMILES CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO2/c1-2-8-23-9-6-15-11-16(25-10-7-22)13-17-20(15)18(23)12-14-4-3-5-19(24)21(14)17/h3-5,11,13,18,24H,2,6-10,12H2,1H3/t18-/m1/s1
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410n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from rat cloned dopamine D3 receptor


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50336861
PNG
(CHEMBL1672310 | N-propyl-2-fluoroethoxy-11-monohyd...)
Show SMILES CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO2/c1-2-8-23-9-6-15-11-16(25-10-7-22)13-17-20(15)18(23)12-14-4-3-5-19(24)21(14)17/h3-5,11,13,18,24H,2,6-10,12H2,1H3/t18-/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor low binding site by radioligand displacement assay


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair