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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'enriz' and Initial = 'rd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50041978
PNG
(CHEMBL3134157)
Show SMILES Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 |r|
Show InChI InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Universidad Nacional de San Luis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged SphK1 using [3H]-sphingosine as substrate after 30 mins by scintillation counting method


Eur J Med Chem 139: 461-481 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.017
BindingDB Entry DOI: 10.7270/Q2930WP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493350
PNG
(CHEMBL2425378)
Show SMILES Oc1cccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C18H17NO3/c20-16-3-1-2-11-6-15-13-8-18-17(21-10-22-18)7-12(13)4-5-19(15)9-14(11)16/h1-3,7-8,15,20H,4-6,9-10H2
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28n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493350
PNG
(CHEMBL2425378)
Show SMILES Oc1cccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C18H17NO3/c20-16-3-1-2-11-6-15-13-8-18-17(21-10-22-18)7-12(13)4-5-19(15)9-14(11)16/h1-3,7-8,15,20H,4-6,9-10H2
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28.2n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50298707
PNG
(1-Benzyl-6-chloro-7-hydroxy-1,2,3,4-tetrahydroisoq...)
Show SMILES Oc1cc2C(Cc3ccccc3)NCCc2cc1Cl
Show InChI InChI=1S/C16H16ClNO/c17-14-9-12-6-7-18-15(13(12)10-16(14)19)8-11-4-2-1-3-5-11/h1-5,9-10,15,18-19H,6-8H2
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66n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting


Bioorg Med Chem 17: 4968-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.079
BindingDB Entry DOI: 10.7270/Q26D5T2B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493352
PNG
(CHEMBL2425371)
Show SMILES COc1ccc2CN3CCc4cc(O)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C18H19NO3/c1-22-14-3-2-12-10-19-5-4-11-8-17(20)18(21)9-15(11)16(19)7-13(12)6-14/h2-3,6,8-9,16,20-21H,4-5,7,10H2,1H3
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74n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50298706
PNG
(1-Butyl-6-chloro-7-hydroxy-1,2,3,4-tetrahydroisoqu...)
Show SMILES CCCCC1NCCc2cc(Cl)c(O)cc12
Show InChI InChI=1S/C13H18ClNO/c1-2-3-4-12-10-8-13(16)11(14)7-9(10)5-6-15-12/h7-8,12,15-16H,2-6H2,1H3
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76n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting


Bioorg Med Chem 17: 4968-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.079
BindingDB Entry DOI: 10.7270/Q26D5T2B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493352
PNG
(CHEMBL2425371)
Show SMILES COc1ccc2CN3CCc4cc(O)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C18H19NO3/c1-22-14-3-2-12-10-19-5-4-11-8-17(20)18(21)9-15(11)16(19)7-13(12)6-14/h2-3,6,8-9,16,20-21H,4-5,7,10H2,1H3
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78n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493355
PNG
(CHEMBL2425376)
Show SMILES Oc1cc2CCN3Cc4c(O)cccc4CC3c2cc1O
Show InChI InChI=1S/C17H17NO3/c19-15-3-1-2-10-6-14-12-8-17(21)16(20)7-11(12)4-5-18(14)9-13(10)15/h1-3,7-8,14,19-21H,4-6,9H2
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85n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493355
PNG
(CHEMBL2425376)
Show SMILES Oc1cc2CCN3Cc4c(O)cccc4CC3c2cc1O
Show InChI InChI=1S/C17H17NO3/c19-15-3-1-2-10-6-14-12-8-17(21)16(20)7-11(12)4-5-18(14)9-13(10)15/h1-3,7-8,14,19-21H,4-6,9H2
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93n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493357
PNG
(CHEMBL2425369)
Show SMILES Oc1ccc2CN3CCc4cc(Cl)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C17H16ClNO2/c18-15-6-10-3-4-19-9-11-1-2-13(20)5-12(11)7-16(19)14(10)8-17(15)21/h1-2,5-6,8,16,20-21H,3-4,7,9H2
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107n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493357
PNG
(CHEMBL2425369)
Show SMILES Oc1ccc2CN3CCc4cc(Cl)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C17H16ClNO2/c18-15-6-10-3-4-19-9-11-1-2-13(20)5-12(11)7-16(19)14(10)8-17(15)21/h1-2,5-6,8,16,20-21H,3-4,7,9H2
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107n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493357
PNG
(CHEMBL2425369)
Show SMILES Oc1ccc2CN3CCc4cc(Cl)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C17H16ClNO2/c18-15-6-10-3-4-19-9-11-1-2-13(20)5-12(11)7-16(19)14(10)8-17(15)21/h1-2,5-6,8,16,20-21H,3-4,7,9H2
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186n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493357
PNG
(CHEMBL2425369)
Show SMILES Oc1ccc2CN3CCc4cc(Cl)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C17H16ClNO2/c18-15-6-10-3-4-19-9-11-1-2-13(20)5-12(11)7-16(19)14(10)8-17(15)21/h1-2,5-6,8,16,20-21H,3-4,7,9H2
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188n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493350
PNG
(CHEMBL2425378)
Show SMILES Oc1cccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C18H17NO3/c20-16-3-1-2-11-6-15-13-8-18-17(21-10-22-18)7-12(13)4-5-19(15)9-14(11)16/h1-3,7-8,15,20H,4-6,9-10H2
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339n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493350
PNG
(CHEMBL2425378)
Show SMILES Oc1cccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C18H17NO3/c20-16-3-1-2-11-6-15-13-8-18-17(21-10-22-18)7-12(13)4-5-19(15)9-14(11)16/h1-3,7-8,15,20H,4-6,9-10H2
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344n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493351
PNG
(CHEMBL2425374)
Show SMILES COc1cccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc12
Show InChI InChI=1S/C20H23NO3/c1-22-18-6-4-5-13-9-17-15-11-20(24-3)19(23-2)10-14(15)7-8-21(17)12-16(13)18/h4-6,10-11,17H,7-9,12H2,1-3H3
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363n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493348
PNG
(CHEMBL2425375)
Show SMILES Oc1ccc2CN3CCc4cc(O)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C17H17NO3/c19-13-2-1-11-9-18-4-3-10-7-16(20)17(21)8-14(10)15(18)6-12(11)5-13/h1-2,5,7-8,15,19-21H,3-4,6,9H2
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389n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493351
PNG
(CHEMBL2425374)
Show SMILES COc1cccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc12
Show InChI InChI=1S/C20H23NO3/c1-22-18-6-4-5-13-9-17-15-11-20(24-3)19(23-2)10-14(15)7-8-21(17)12-16(13)18/h4-6,10-11,17H,7-9,12H2,1-3H3
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393n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493348
PNG
(CHEMBL2425375)
Show SMILES Oc1ccc2CN3CCc4cc(O)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C17H17NO3/c19-13-2-1-11-9-18-4-3-10-7-16(20)17(21)8-14(10)15(18)6-12(11)5-13/h1-2,5,7-8,15,19-21H,3-4,6,9H2
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396n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50022051
PNG
(1-Phenyl-6-chloro-7-hydroxy-N-methyl-1,2,3,4-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C1c1ccccc1
Show InChI InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3
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504n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting


Bioorg Med Chem 17: 4968-80 (2009)


Article DOI: 10.1016/j.bmc.2009.05.079
BindingDB Entry DOI: 10.7270/Q26D5T2B
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493352
PNG
(CHEMBL2425371)
Show SMILES COc1ccc2CN3CCc4cc(O)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C18H19NO3/c1-22-14-3-2-12-10-19-5-4-11-8-17(20)18(21)9-15(11)16(19)7-13(12)6-14/h2-3,6,8-9,16,20-21H,4-5,7,10H2,1H3
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954n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493352
PNG
(CHEMBL2425371)
Show SMILES COc1ccc2CN3CCc4cc(O)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C18H19NO3/c1-22-14-3-2-12-10-19-5-4-11-8-17(20)18(21)9-15(11)16(19)7-13(12)6-14/h2-3,6,8-9,16,20-21H,4-5,7,10H2,1H3
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955n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493356
PNG
(CHEMBL2425372)
Show SMILES COc1ccc2CN3CCc4cc5OCOc5cc4C3Cc2c1
Show InChI InChI=1S/C19H19NO3/c1-21-15-3-2-13-10-20-5-4-12-8-18-19(23-11-22-18)9-16(12)17(20)7-14(13)6-15/h2-3,6,8-9,17H,4-5,7,10-11H2,1H3
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1.14E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493356
PNG
(CHEMBL2425372)
Show SMILES COc1ccc2CN3CCc4cc5OCOc5cc4C3Cc2c1
Show InChI InChI=1S/C19H19NO3/c1-21-15-3-2-13-10-20-5-4-12-8-18-19(23-11-22-18)9-16(12)17(20)7-14(13)6-15/h2-3,6,8-9,17H,4-5,7,10-11H2,1H3
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1.15E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493356
PNG
(CHEMBL2425372)
Show SMILES COc1ccc2CN3CCc4cc5OCOc5cc4C3Cc2c1
Show InChI InChI=1S/C19H19NO3/c1-21-15-3-2-13-10-20-5-4-12-8-18-19(23-11-22-18)9-16(12)17(20)7-14(13)6-15/h2-3,6,8-9,17H,4-5,7,10-11H2,1H3
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1.69E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493356
PNG
(CHEMBL2425372)
Show SMILES COc1ccc2CN3CCc4cc5OCOc5cc4C3Cc2c1
Show InChI InChI=1S/C19H19NO3/c1-21-15-3-2-13-10-20-5-4-12-8-18-19(23-11-22-18)9-16(12)17(20)7-14(13)6-15/h2-3,6,8-9,17H,4-5,7,10-11H2,1H3
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1.70E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493354
PNG
(CHEMBL2425368)
Show SMILES COc1ccc2CN3CCc4cc(Cl)c(OC)cc4C3Cc2c1
Show InChI InChI=1S/C19H20ClNO2/c1-22-15-4-3-13-11-21-6-5-12-8-17(20)19(23-2)10-16(12)18(21)9-14(13)7-15/h3-4,7-8,10,18H,5-6,9,11H2,1-2H3
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1.74E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493354
PNG
(CHEMBL2425368)
Show SMILES COc1ccc2CN3CCc4cc(Cl)c(OC)cc4C3Cc2c1
Show InChI InChI=1S/C19H20ClNO2/c1-22-15-4-3-13-11-21-6-5-12-8-17(20)19(23-2)10-16(12)18(21)9-14(13)7-15/h3-4,7-8,10,18H,5-6,9,11H2,1-2H3
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1.81E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493354
PNG
(CHEMBL2425368)
Show SMILES COc1ccc2CN3CCc4cc(Cl)c(OC)cc4C3Cc2c1
Show InChI InChI=1S/C19H20ClNO2/c1-22-15-4-3-13-11-21-6-5-12-8-17(20)19(23-2)10-16(12)18(21)9-14(13)7-15/h3-4,7-8,10,18H,5-6,9,11H2,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493354
PNG
(CHEMBL2425368)
Show SMILES COc1ccc2CN3CCc4cc(Cl)c(OC)cc4C3Cc2c1
Show InChI InChI=1S/C19H20ClNO2/c1-22-15-4-3-13-11-21-6-5-12-8-17(20)19(23-2)10-16(12)18(21)9-14(13)7-15/h3-4,7-8,10,18H,5-6,9,11H2,1-2H3
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2.05E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493348
PNG
(CHEMBL2425375)
Show SMILES Oc1ccc2CN3CCc4cc(O)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C17H17NO3/c19-13-2-1-11-9-18-4-3-10-7-16(20)17(21)8-14(10)15(18)6-12(11)5-13/h1-2,5,7-8,15,19-21H,3-4,6,9H2
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2.63E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493348
PNG
(CHEMBL2425375)
Show SMILES Oc1ccc2CN3CCc4cc(O)c(O)cc4C3Cc2c1
Show InChI InChI=1S/C17H17NO3/c19-13-2-1-11-9-18-4-3-10-7-16(20)17(21)8-14(10)15(18)6-12(11)5-13/h1-2,5,7-8,15,19-21H,3-4,6,9H2
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2.63E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493355
PNG
(CHEMBL2425376)
Show SMILES Oc1cc2CCN3Cc4c(O)cccc4CC3c2cc1O
Show InChI InChI=1S/C17H17NO3/c19-15-3-1-2-10-6-14-12-8-17(21)16(20)7-11(12)4-5-18(14)9-13(10)15/h1-3,7-8,14,19-21H,4-6,9H2
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3.47E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493351
PNG
(CHEMBL2425374)
Show SMILES COc1cccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc12
Show InChI InChI=1S/C20H23NO3/c1-22-18-6-4-5-13-9-17-15-11-20(24-3)19(23-2)10-14(15)7-8-21(17)12-16(13)18/h4-6,10-11,17H,7-9,12H2,1-3H3
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3.63E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493355
PNG
(CHEMBL2425376)
Show SMILES Oc1cc2CCN3Cc4c(O)cccc4CC3c2cc1O
Show InChI InChI=1S/C17H17NO3/c19-15-3-1-2-10-6-14-12-8-17(21)16(20)7-11(12)4-5-18(14)9-13(10)15/h1-3,7-8,14,19-21H,4-6,9H2
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3.78E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493351
PNG
(CHEMBL2425374)
Show SMILES COc1cccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc12
Show InChI InChI=1S/C20H23NO3/c1-22-18-6-4-5-13-9-17-15-11-20(24-3)19(23-2)10-14(15)7-8-21(17)12-16(13)18/h4-6,10-11,17H,7-9,12H2,1-3H3
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3.93E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493358
PNG
(CHEMBL2425373)
Show SMILES COc1ccc2CN3CCc4cc(OC)c(OC)cc4C3Cc2c1
Show InChI InChI=1S/C20H23NO3/c1-22-16-5-4-14-12-21-7-6-13-10-19(23-2)20(24-3)11-17(13)18(21)9-15(14)8-16/h4-5,8,10-11,18H,6-7,9,12H2,1-3H3
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4.17E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493358
PNG
(CHEMBL2425373)
Show SMILES COc1ccc2CN3CCc4cc(OC)c(OC)cc4C3Cc2c1
Show InChI InChI=1S/C20H23NO3/c1-22-16-5-4-14-12-21-7-6-13-10-19(23-2)20(24-3)11-17(13)18(21)9-15(14)8-16/h4-5,8,10-11,18H,6-7,9,12H2,1-3H3
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4.31E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493358
PNG
(CHEMBL2425373)
Show SMILES COc1ccc2CN3CCc4cc(OC)c(OC)cc4C3Cc2c1
Show InChI InChI=1S/C20H23NO3/c1-22-16-5-4-14-12-21-7-6-13-10-19(23-2)20(24-3)11-17(13)18(21)9-15(14)8-16/h4-5,8,10-11,18H,6-7,9,12H2,1-3H3
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5.12E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493358
PNG
(CHEMBL2425373)
Show SMILES COc1ccc2CN3CCc4cc(OC)c(OC)cc4C3Cc2c1
Show InChI InChI=1S/C20H23NO3/c1-22-16-5-4-14-12-21-7-6-13-10-19(23-2)20(24-3)11-17(13)18(21)9-15(14)8-16/h4-5,8,10-11,18H,6-7,9,12H2,1-3H3
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5.13E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493349
PNG
(CHEMBL2425377)
Show SMILES Oc1ccc2CN3CCc4cc5OCOc5cc4C3Cc2c1
Show InChI InChI=1S/C18H17NO3/c20-14-2-1-12-9-19-4-3-11-7-17-18(22-10-21-17)8-15(11)16(19)6-13(12)5-14/h1-2,5,7-8,16,20H,3-4,6,9-10H2
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6.92E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493349
PNG
(CHEMBL2425377)
Show SMILES Oc1ccc2CN3CCc4cc5OCOc5cc4C3Cc2c1
Show InChI InChI=1S/C18H17NO3/c20-14-2-1-12-9-19-4-3-11-7-17-18(22-10-21-17)8-15(11)16(19)6-13(12)5-14/h1-2,5,7-8,16,20H,3-4,6,9-10H2
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7.51E+3n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50443389
PNG
(CHEMBL2376441)
Show SMILES CCCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r|
Show InChI InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de San Luis

Curated by ChEMBL


Assay Description
Inhibition of V5-His-tagged human SphK1 using sphingosine as substrate in presence of [gamma-32P]ATP


Eur J Med Chem 139: 461-481 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.017
BindingDB Entry DOI: 10.7270/Q2930WP5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50312869
PNG
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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1.70E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de San Luis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged SphK1 using [3H]-sphingosine as substrate after 30 mins by scintillation counting method


Eur J Med Chem 139: 461-481 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.017
BindingDB Entry DOI: 10.7270/Q2930WP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)
BDBM50493349
PNG
(CHEMBL2425377)
Show SMILES Oc1ccc2CN3CCc4cc5OCOc5cc4C3Cc2c1
Show InChI InChI=1S/C18H17NO3/c20-14-2-1-12-9-19-4-3-11-7-17-18(22-10-21-17)8-15(11)16(19)6-13(12)5-14/h1-2,5,7-8,16,20H,3-4,6,9-10H2
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UniChem
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3.24E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493349
PNG
(CHEMBL2425377)
Show SMILES Oc1ccc2CN3CCc4cc5OCOc5cc4C3Cc2c1
Show InChI InChI=1S/C18H17NO3/c20-14-2-1-12-9-19-4-3-11-7-17-18(22-10-21-17)8-15(11)16(19)6-13(12)5-14/h1-2,5,7-8,16,20H,3-4,6,9-10H2
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3.30E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493353
PNG
(CHEMBL2425370)
Show SMILES COc1ccc2CN3CCc4cc(OCc5ccccc5)c(OCc5ccccc5)cc4C3Cc2c1
Show InChI InChI=1S/C32H31NO3/c1-34-28-13-12-26-20-33-15-14-25-18-31(35-21-23-8-4-2-5-9-23)32(36-22-24-10-6-3-7-11-24)19-29(25)30(33)17-27(26)16-28/h2-13,16,18-19,30H,14-15,17,20-22H2,1H3
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4.06E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50493353
PNG
(CHEMBL2425370)
Show SMILES COc1ccc2CN3CCc4cc(OCc5ccccc5)c(OCc5ccccc5)cc4C3Cc2c1
Show InChI InChI=1S/C32H31NO3/c1-34-28-13-12-26-20-33-15-14-25-18-31(35-21-23-8-4-2-5-9-23)32(36-22-24-10-6-3-7-11-24)19-29(25)30(33)17-27(26)16-28/h2-13,16,18-19,30H,14-15,17,20-22H2,1H3
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4.07E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493353
PNG
(CHEMBL2425370)
Show SMILES COc1ccc2CN3CCc4cc(OCc5ccccc5)c(OCc5ccccc5)cc4C3Cc2c1
Show InChI InChI=1S/C32H31NO3/c1-34-28-13-12-26-20-33-15-14-25-18-31(35-21-23-8-4-2-5-9-23)32(36-22-24-10-6-3-7-11-24)19-29(25)30(33)17-27(26)16-28/h2-13,16,18-19,30H,14-15,17,20-22H2,1H3
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4.09E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50493353
PNG
(CHEMBL2425370)
Show SMILES COc1ccc2CN3CCc4cc(OCc5ccccc5)c(OCc5ccccc5)cc4C3Cc2c1
Show InChI InChI=1S/C32H31NO3/c1-34-28-13-12-26-20-33-15-14-25-18-31(35-21-23-8-4-2-5-9-23)32(36-22-24-10-6-3-7-11-24)19-29(25)30(33)17-27(26)16-28/h2-13,16,18-19,30H,14-15,17,20-22H2,1H3
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4.17E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis


Eur J Med Chem 68: 150-66 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.036
BindingDB Entry DOI: 10.7270/Q2J1063R
More data for this
Ligand-Target Pair
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