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Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'cortes-burgos' and Initial = 'l'   
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))		BDBM50007344
PNG
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1
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 0.0540n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093965
PNG
(CHEMBL86324 | N-Methyl-N-((S)-1-phenyl-2-pyrrolidi...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-17-9-11-19(12-10-17)22(23,24)25)20(16-27-13-5-6-14-27)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3/t20-/m1/s1
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 0.0580n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093964
PNG
(CHEMBL313484 | N-Methyl-N-((S)-1-phenyl-2-pyrrolid...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-17-8-7-11-19(14-17)22(23,24)25)20(16-27-12-5-6-13-27)18-9-3-2-4-10-18/h2-4,7-11,14,20H,5-6,12-13,15-16H2,1H3/t20-/m1/s1
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 0.0640n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093969
PNG
(CHEMBL82919 | N-Methyl-2-(3-nitro-phenyl)-N-((S)-1...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H25N3O3/c1-22(21(25)15-17-8-7-11-19(14-17)24(26)27)20(16-23-12-5-6-13-23)18-9-3-2-4-10-18/h2-4,7-11,14,20H,5-6,12-13,15-16H2,1H3/t20-/m1/s1
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 0.0650n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093958
PNG
(2-(2-Amino-3,4-dichloro-phenyl)-N-methyl-N-((S)-1-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1N
Show InChI InChI=1S/C21H25Cl2N3O/c1-25(19(27)13-16-9-10-17(22)20(23)21(16)24)18(14-26-11-5-6-12-26)15-7-3-2-4-8-15/h2-4,7-10,18H,5-6,11-14,24H2,1H3/t18-/m1/s1
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 0.0860n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093966
PNG
(2-(3,4-Dichloro-2-nitro-phenyl)-N-methyl-N-((S)-1-...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1[N+]([O-])=O
Show InChI InChI=1S/C21H23Cl2N3O3/c1-24(18(14-25-11-5-6-12-25)15-7-3-2-4-8-15)19(27)13-16-9-10-17(22)20(23)21(16)26(28)29/h2-4,7-10,18H,5-6,11-14H2,1H3/t18-/m1/s1
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 0.0910n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093970
PNG
(2-(3,4-Dichloro-2-dimethanesulfonylamino-phenyl)-N...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1N(S(C)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C23H29Cl2N3O5S2/c1-26(20(16-27-13-7-8-14-27)17-9-5-4-6-10-17)21(29)15-18-11-12-19(24)22(25)23(18)28(34(2,30)31)35(3,32)33/h4-6,9-12,20H,7-8,13-16H2,1-3H3/t20-/m1/s1
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 0.0960n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093962
PNG
(CHEMBL87306 | N-Methyl-N-((S)-1-phenyl-2-pyrrolidi...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H25F3N2O/c1-26(21(28)15-18-11-5-6-12-19(18)22(23,24)25)20(16-27-13-7-8-14-27)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1
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 0.130n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50061649
PNG
(2-{[3-(Benzooxazol-5-yloxy)-propylamino]-methyl}-c...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4ocnc4c3)Oc2c1
Show InChI InChI=1S/C20H22N2O4/c23-15-4-2-14-3-5-17(26-20(14)10-15)12-21-8-1-9-24-16-6-7-19-18(11-16)22-13-25-19/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2
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 0.190n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061684
PNG
(2-(Benzylamino-methyl)-chroman-7-ol; oxalic acid |...)
Show SMILES Oc1ccc2CCC(CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50061681
PNG
((R)-2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chro...)
Show SMILES Oc1ccc2CC[C@H](CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2/t18-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D3 (hD3) using [3H]spiperone radioligand.

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061682
PNG
((R)-2-[(4-Phenyl-butylamino)-methyl]-chroman-7-ol;...)
Show SMILES Oc1ccc2CC[C@H](CNCCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C20H25NO2/c22-18-11-9-17-10-12-19(23-20(17)14-18)15-21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,11,14,19,21-22H,4-5,8,10,12-13,15H2/t19-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061665
PNG
(2-[(4-Chloro-benzylamino)-methyl]-chroman-7-ol; ox...)
Show SMILES Oc1ccc2CCC(CNCc3ccc(Cl)cc3)Oc2c1
Show InChI InChI=1S/C17H18ClNO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061671
PNG
(3-{[3-(3-Amino-phenoxy)-propylamino]-methyl}-2,3-d...)
Show SMILES Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1
Show InChI InChI=1S/C18H22N2O4/c19-13-3-1-4-15(9-13)22-8-2-7-20-11-16-12-23-17-6-5-14(21)10-18(17)24-16/h1,3-6,9-10,16,20-21H,2,7-8,11-12,19H2/t16-/m0/s1
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061646
PNG
(2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylam...)
Show SMILES Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12
Show InChI InChI=1S/C21H24N2O4/c1-14-19-8-7-17(12-21(19)27-23-14)25-10-2-9-22-13-18-6-4-15-3-5-16(24)11-20(15)26-18/h3,5,7-8,11-12,18,22,24H,2,4,6,9-10,13H2,1H3
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061636
PNG
(2-{[3-(3-Amino-4-chloro-phenoxy)-propylamino]-meth...)
Show SMILES Nc1cc(OCCCNCC2CCc3ccc(O)cc3O2)ccc1Cl
Show InChI InChI=1S/C19H23ClN2O3/c20-17-7-6-15(11-18(17)21)24-9-1-8-22-12-16-5-3-13-2-4-14(23)10-19(13)25-16/h2,4,6-7,10-11,16,22-23H,1,3,5,8-9,12,21H2
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50061646
PNG
(2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylam...)
Show SMILES Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12
Show InChI InChI=1S/C21H24N2O4/c1-14-19-8-7-17(12-21(19)27-23-14)25-10-2-9-22-13-18-6-4-15-3-5-16(24)11-20(15)26-18/h3,5,7-8,11-12,18,22,24H,2,4,6,9-10,13H2,1H3
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 0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061642
PNG
((S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]d...)
Show SMILES Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C16H17NO3/c18-13-6-7-15-16(8-13)20-14(11-19-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11H2/t14-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061661
PNG
(2-[(3-Phenyl-propylamino)-methyl]-chroman-7-ol; ox...)
Show SMILES Oc1ccc2CCC(CNCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C19H23NO2/c21-17-10-8-16-9-11-18(22-19(16)13-17)14-20-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8,10,13,18,20-21H,4,7,9,11-12,14H2
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50061682
PNG
((R)-2-[(4-Phenyl-butylamino)-methyl]-chroman-7-ol;...)
Show SMILES Oc1ccc2CC[C@H](CNCCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C20H25NO2/c22-18-11-9-17-10-12-19(23-20(17)14-18)15-21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,11,14,19,21-22H,4-5,8,10,12-13,15H2/t19-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061649
PNG
(2-{[3-(Benzooxazol-5-yloxy)-propylamino]-methyl}-c...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4ocnc4c3)Oc2c1
Show InChI InChI=1S/C20H22N2O4/c23-15-4-2-14-3-5-17(26-20(14)10-15)12-21-8-1-9-24-16-6-7-19-18(11-16)22-13-25-19/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2
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 0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093968
PNG
(CHEMBL87207 | N-Methyl-2-(2-nitro-phenyl)-N-((S)-1...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C21H25N3O3/c1-22(21(25)15-18-11-5-6-12-19(18)24(26)27)20(16-23-13-7-8-14-23)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16H2,1H3/t20-/m1/s1
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 0.410n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50061654
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chroman-...)
Show SMILES Oc1ccc2CCC(CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2
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 0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested to inhibit Dopa accumulation in Dopamine receptor D3 at 10 mg/kg, sc

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061662
PNG
(2-{[3-(2-Amino-pyrimidin-4-yloxy)-propylamino]-met...)
Show SMILES Nc1nccc(OCCCNCC2CCc3ccc(O)cc3O2)n1
Show InChI InChI=1S/C17H22N4O3/c18-17-20-8-6-16(21-17)23-9-1-7-19-11-14-5-3-12-2-4-13(22)10-15(12)24-14/h2,4,6,8,10,14,19,22H,1,3,5,7,9,11H2,(H2,18,20,21)
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 0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061673
PNG
(2-{[3-(Quinolin-7-yloxy)-propylamino]-methyl}-chro...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4cccnc4c3)Oc2c1
Show InChI InChI=1S/C22H24N2O3/c25-18-7-4-17-6-9-20(27-22(17)13-18)15-23-10-2-12-26-19-8-5-16-3-1-11-24-21(16)14-19/h1,3-5,7-8,11,13-14,20,23,25H,2,6,9-10,12,15H2
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Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061638
PNG
(2-[(3-Phenoxy-propylamino)-methyl]-chroman-7-ol; o...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccccc3)Oc2c1
Show InChI InChI=1S/C19H23NO3/c21-16-9-7-15-8-10-18(23-19(15)13-16)14-20-11-4-12-22-17-5-2-1-3-6-17/h1-3,5-7,9,13,18,20-21H,4,8,10-12,14H2
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Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061631
PNG
(2-{[3-(Benzooxazol-6-yloxy)-propylamino]-methyl}-c...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4ncoc4c3)Oc2c1
Show InChI InChI=1S/C20H22N2O4/c23-15-4-2-14-3-5-17(26-19(14)10-15)12-21-8-1-9-24-16-6-7-18-20(11-16)25-13-22-18/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2
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Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093971
PNG
(2-(2-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrr...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1N
Show InChI InChI=1S/C21H27N3O/c1-23(21(25)15-18-11-5-6-12-19(18)22)20(16-24-13-7-8-14-24)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16,22H2,1H3/t20-/m1/s1
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 0.580n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061639
PNG
(2-{[(Thiophen-2-ylmethyl)-amino]-methyl}-chroman-7...)
Show SMILES Oc1ccc2CCC(CNCc3cccs3)Oc2c1
Show InChI InChI=1S/C15H17NO2S/c17-12-5-3-11-4-6-13(18-15(11)8-12)9-16-10-14-2-1-7-19-14/h1-3,5,7-8,13,16-17H,4,6,9-10H2
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 0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061681
PNG
((R)-2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chro...)
Show SMILES Oc1ccc2CC[C@H](CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2/t18-/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061633
PNG
(2-[(4-Hydroxy-benzylamino)-methyl]-chroman-7-ol; o...)
Show SMILES Oc1ccc(CNCC2CCc3ccc(O)cc3O2)cc1
Show InChI InChI=1S/C17H19NO3/c19-14-5-1-12(2-6-14)10-18-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,18-20H,4,8,10-11H2
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 0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061640
PNG
((R)-2-(Benzylamino-methyl)-6-chloro-chroman-7-ol; ...)
Show SMILES Oc1cc2O[C@@H](CNCc3ccccc3)CCc2cc1Cl
Show InChI InChI=1S/C17H18ClNO2/c18-15-8-13-6-7-14(21-17(13)9-16(15)20)11-19-10-12-4-2-1-3-5-12/h1-5,8-9,14,19-20H,6-7,10-11H2/t14-/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50061658
PNG
(2-{[3-(3-Amino-2-methyl-phenoxy)-propylamino]-meth...)
Show SMILES Cc1c(N)cccc1OCCCNCC1CCc2ccc(O)cc2O1
Show InChI InChI=1S/C20H26N2O3/c1-14-18(21)4-2-5-19(14)24-11-3-10-22-13-17-9-7-15-6-8-16(23)12-20(15)25-17/h2,4-6,8,12,17,22-23H,3,7,9-11,13,21H2,1H3
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 0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061632
PNG
(2-[(4-Phenyl-butylamino)-methyl]-chroman-7-ol; oxa...)
Show SMILES Oc1ccc2CCC(CNCCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C20H25NO2/c22-18-11-9-17-10-12-19(23-20(17)14-18)15-21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,11,14,19,21-22H,4-5,8,10,12-13,15H2
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 0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061654
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chroman-...)
Show SMILES Oc1ccc2CCC(CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2
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 0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50061675
PNG
(2-{[3-(1H-Indol-4-yloxy)-propylamino]-methyl}-chro...)
Show SMILES Oc1ccc2CCC(CNCCCOc3cccc4[nH]ccc34)Oc2c1
Show InChI InChI=1S/C21H24N2O3/c24-16-7-5-15-6-8-17(26-21(15)13-16)14-22-10-2-12-25-20-4-1-3-19-18(20)9-11-23-19/h1,3-5,7,9,11,13,17,22-24H,2,6,8,10,12,14H2
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 0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061675
PNG
(2-{[3-(1H-Indol-4-yloxy)-propylamino]-methyl}-chro...)
Show SMILES Oc1ccc2CCC(CNCCCOc3cccc4[nH]ccc34)Oc2c1
Show InChI InChI=1S/C21H24N2O3/c24-16-7-5-15-6-8-17(26-21(15)13-16)14-22-10-2-12-25-20-4-1-3-19-18(20)9-11-23-19/h1,3-5,7,9,11,13,17,22-24H,2,6,8,10,12,14H2
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 0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061679
PNG
(2-Hexylaminomethyl-chroman-7-ol; oxalic acid | CHE...)
Show SMILES CCCCCCNCC1CCc2ccc(O)cc2O1
Show InChI InChI=1S/C16H25NO2/c1-2-3-4-5-10-17-12-15-9-7-13-6-8-14(18)11-16(13)19-15/h6,8,11,15,17-18H,2-5,7,9-10,12H2,1H3
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 0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061643
PNG
(2-{[3-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-propyl...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4CCCNc4c3)Oc2c1
Show InChI InChI=1S/C22H28N2O3/c25-18-7-4-17-6-9-20(27-22(17)13-18)15-23-10-2-12-26-19-8-5-16-3-1-11-24-21(16)14-19/h4-5,7-8,13-14,20,23-25H,1-3,6,9-12,15H2
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 0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50061643
PNG
(2-{[3-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-propyl...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4CCCNc4c3)Oc2c1
Show InChI InChI=1S/C22H28N2O3/c25-18-7-4-17-6-9-20(27-22(17)13-18)15-23-10-2-12-26-19-8-5-16-3-1-11-24-21(16)14-19/h4-5,7-8,13-14,20,23-25H,1-3,6,9-12,15H2
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 0.800n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061657
PNG
(2-[(4-Fluoro-benzylamino)-methyl]-chroman-7-ol; ox...)
Show SMILES Oc1ccc2CCC(CNCc3ccc(F)cc3)Oc2c1
Show InChI InChI=1S/C17H18FNO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2
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 0.800n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061674
PNG
(2-(Phenethylamino-methyl)-chroman-7-ol; oxalic aci...)
Show SMILES Oc1ccc2CCC(CNCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C18H21NO2/c20-16-8-6-15-7-9-17(21-18(15)12-16)13-19-11-10-14-4-2-1-3-5-14/h1-6,8,12,17,19-20H,7,9-11,13H2
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 0.800n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061648
PNG
(2-{[3-(3-Amino-phenoxy)-propylamino]-methyl}-chrom...)
Show SMILES Nc1cccc(OCCCNCC2CCc3ccc(O)cc3O2)c1
Show InChI InChI=1S/C19H24N2O3/c20-15-3-1-4-17(11-15)23-10-2-9-21-13-18-8-6-14-5-7-16(22)12-19(14)24-18/h1,3-5,7,11-12,18,21-22H,2,6,8-10,13,20H2
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 0.900n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061687
PNG
(CHEMBL336390 | N-((6aR,9S,10aR)-5,7-Dimethyl-4,6,6...)
Show SMILES CN1C[C@H](C[C@H]2[C@H]1Cc1c(C)[nH]c3cccc2c13)NC(=O)C(C)(C)C
Show InChI InChI=1S/C21H29N3O/c1-12-15-10-18-16(14-7-6-8-17(22-12)19(14)15)9-13(11-24(18)5)23-20(25)21(2,3)4/h6-8,13,16,18,22H,9-11H2,1-5H3,(H,23,25)/t13-,16+,18+/m0/s1
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 0.900n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061660
PNG
(2-[(Cyclohexylmethyl-amino)-methyl]-chroman-7-ol; ...)
Show SMILES Oc1ccc2CCC(CNCC3CCCCC3)Oc2c1
Show InChI InChI=1S/C17H25NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h6,8,10,13,16,18-19H,1-5,7,9,11-12H2
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 0.900n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093963
PNG
(2-(4-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrr...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(N)cc1
Show InChI InChI=1S/C21H27N3O/c1-23(21(25)15-17-9-11-19(22)12-10-17)20(16-24-13-5-6-14-24)18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16,22H2,1H3/t20-/m1/s1
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 0.930n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50093967
PNG
(2-(3-Amino-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrr...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(N)c1
Show InChI InChI=1S/C21H27N3O/c1-23(21(25)15-17-8-7-11-19(22)14-17)20(16-24-12-5-6-13-24)18-9-3-2-4-10-18/h2-4,7-11,14,20H,5-6,12-13,15-16,22H2,1H3/t20-/m1/s1
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 0.930n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593

Bioorg Med Chem Lett 10: 2567-70 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50061687
PNG
(CHEMBL336390 | N-((6aR,9S,10aR)-5,7-Dimethyl-4,6,6...)
Show SMILES CN1C[C@H](C[C@H]2[C@H]1Cc1c(C)[nH]c3cccc2c13)NC(=O)C(C)(C)C
Show InChI InChI=1S/C21H29N3O/c1-12-15-10-18-16(14-7-6-8-17(22-12)19(14)15)9-13(11-24(18)5)23-20(25)21(2,3)4/h6-8,13,16,18,22H,9-11H2,1-5H3,(H,23,25)/t13-,16+,18+/m0/s1
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 1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the antagonist [3H]spiperone + GTP to label the low affinity stat...

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50061635
PNG
((S)-2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chro...)
Show SMILES Oc1ccc2CC[C@@H](CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2/t18-/m0/s1
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 1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D3 (hD3) using [3H]spiperone radioligand.

J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
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