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PubMed code 23134120

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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0.490n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399882
PNG
(CHEMBL2180638)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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5.90n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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8.10n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399885
PNG
(CHEMBL2180640)
Show SMILES CCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C20H27NO/c1-2-3-14-21(15-12-18-8-5-4-6-9-18)16-13-19-10-7-11-20(22)17-19/h4-11,17,22H,2-3,12-16H2,1H3
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11n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399886
PNG
(CHEMBL2180637)
Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3
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13n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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22n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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43n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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64n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399882
PNG
(CHEMBL2180638)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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118n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399884
PNG
(CHEMBL2180641)
Show SMILES CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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141n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399882
PNG
(CHEMBL2180638)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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168n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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282n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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290n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50399886
PNG
(CHEMBL2180637)
Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3
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325n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50399885
PNG
(CHEMBL2180640)
Show SMILES CCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C20H27NO/c1-2-3-14-21(15-12-18-8-5-4-6-9-18)16-13-19-10-7-11-20(22)17-19/h4-11,17,22H,2-3,12-16H2,1H3
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412n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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422n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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450n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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542n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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594n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50399884
PNG
(CHEMBL2180641)
Show SMILES CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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788n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50399882
PNG
(CHEMBL2180638)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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826n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399884
PNG
(CHEMBL2180641)
Show SMILES CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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831n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399886
PNG
(CHEMBL2180637)
Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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1.15E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399884
PNG
(CHEMBL2180641)
Show SMILES CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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1.15E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399885
PNG
(CHEMBL2180640)
Show SMILES CCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C20H27NO/c1-2-3-14-21(15-12-18-8-5-4-6-9-18)16-13-19-10-7-11-20(22)17-19/h4-11,17,22H,2-3,12-16H2,1H3
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1.15E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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1.19E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399885
PNG
(CHEMBL2180640)
Show SMILES CCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C20H27NO/c1-2-3-14-21(15-12-18-8-5-4-6-9-18)16-13-19-10-7-11-20(22)17-19/h4-11,17,22H,2-3,12-16H2,1H3
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1.23E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50399886
PNG
(CHEMBL2180637)
Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3
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1.32E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399886
PNG
(CHEMBL2180637)
Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3
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1.42E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50399885
PNG
(CHEMBL2180640)
Show SMILES CCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C20H27NO/c1-2-3-14-21(15-12-18-8-5-4-6-9-18)16-13-19-10-7-11-20(22)17-19/h4-11,17,22H,2-3,12-16H2,1H3
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2.43E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50399884
PNG
(CHEMBL2180641)
Show SMILES CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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3.57E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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3.71E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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4.47E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50399882
PNG
(CHEMBL2180638)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50399882
PNG
(CHEMBL2180638)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50399886
PNG
(CHEMBL2180637)
Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50399885
PNG
(CHEMBL2180640)
Show SMILES CCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C20H27NO/c1-2-3-14-21(15-12-18-8-5-4-6-9-18)16-13-19-10-7-11-20(22)17-19/h4-11,17,22H,2-3,12-16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50399884
PNG
(CHEMBL2180641)
Show SMILES CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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n/an/a 57n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]ethylketocyclazocine from kappa opioid receptor in guinea pig brain


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50399886
PNG
(CHEMBL2180637)
Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3
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n/an/a 57n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]ethylketocyclazocine from kappa opioid receptor in guinea pig brain


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/a 953n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as inhibition of quinpirol-induced mitogenesis incubated for 24 hr...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399884
PNG
(CHEMBL2180641)
Show SMILES CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as inhibition of quinpirol-induced mitogenesis incubated for 24 hr...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/a 1.65E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as inhibition of quinpirol-induced mitogenesis incubated for 24 hr...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/an/an/a 9.30n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399882
PNG
(CHEMBL2180638)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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n/an/an/an/a 32n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399886
PNG
(CHEMBL2180637)
Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3
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n/an/an/an/a 86n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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n/an/an/an/a 49n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 8.40n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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n/an/an/an/a 3.60n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 65n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399882
PNG
(CHEMBL2180638)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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n/an/an/an/a 181n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 6.10n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399884
PNG
(CHEMBL2180641)
Show SMILES CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399884
PNG
(CHEMBL2180641)
Show SMILES CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C22H31NO/c1-2-3-4-8-16-23(17-14-20-10-6-5-7-11-20)18-15-21-12-9-13-22(24)19-21/h5-7,9-13,19,24H,2-4,8,14-18H2,1H3
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n/an/an/an/a 647n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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n/an/an/an/a 5.30n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50002310
PNG
(3-[2-(Phenethyl-propyl-amino)-ethyl]-phenol; hydro...)
Show SMILES CCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C19H25NO/c1-2-13-20(14-11-17-7-4-3-5-8-17)15-12-18-9-6-10-19(21)16-18/h3-10,16,21H,2,11-15H2,1H3
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n/an/an/an/a 39n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine i...


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/an/an/a 26n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399885
PNG
(CHEMBL2180640)
Show SMILES CCCCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C20H27NO/c1-2-3-14-21(15-12-18-8-5-4-6-9-18)16-13-19-10-7-11-20(22)17-19/h4-11,17,22H,2-3,12-16H2,1H3
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n/an/an/an/a 46n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50399882
PNG
(CHEMBL2180638)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
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n/an/an/an/a 35n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%