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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'ojala' and Initial = 'wh'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 1 uM) calculated for the high affinity components of the [3H]spiroperidol b...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060602
PNG
(2-[3-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]p...)
Show SMILES NC(=O)CN1CCC(N2CC(=O)N3CCC[C@H]3C2=O)C1=O
Show InChI InChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9?/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 1 nM) calculated for the high affinity components of the [3H]spiroperidol b...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074093
PNG
((2R,3'S,8a'R)-5'-oxo-1-((S)-pyrrolidine-2-carbonyl...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 |r|
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-9-24-12-4-6-16(15(23)20(11)12)5-2-8-19(16)14(22)10-3-1-7-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11+,12+,16+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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0.0640n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060603
PNG
((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC(N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N12
Show InChI InChI=1S/C14H18N4O4S/c15-12(20)9-6-23-11-4-8(14(22)18(9)11)17-5-10(19)16-3-1-2-7(16)13(17)21/h7-9,11H,1-6H2,(H2,15,20)/t7-,8?,9+,11+/m0/s1
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0.0660n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Percentage of receptor in the low affinity form for the compound to Dopamine receptor D2 in absence of Gpp(NH)p (pre treated with 100 nM)


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074093
PNG
((2R,3'S,8a'R)-5'-oxo-1-((S)-pyrrolidine-2-carbonyl...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 |r|
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-9-24-12-4-6-16(15(23)20(11)12)5-2-8-19(16)14(22)10-3-1-7-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11+,12+,16+/m0/s1
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0.0670n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060603
PNG
((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC(N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N12
Show InChI InChI=1S/C14H18N4O4S/c15-12(20)9-6-23-11-4-8(14(22)18(9)11)17-5-10(19)16-3-1-2-7(16)13(17)21/h7-9,11H,1-6H2,(H2,15,20)/t7-,8?,9+,11+/m0/s1
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0.0670n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 100 nM) calculated for the high affinity components of the [3H]spiroperidol...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060600
PNG
((S)-2-((S)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyraz...)
Show SMILES CC(C)C[C@H](N1CC(=O)N2CCC[C@H]2C1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H24N4O4/c1-9(2)6-11(14(22)17-7-12(16)20)19-8-13(21)18-5-3-4-10(18)15(19)23/h9-11H,3-8H2,1-2H3,(H2,16,20)(H,17,22)/t10-,11-/m0/s1
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0.0680n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Percentage of receptor in the high affinity form for the compound to Dopamine receptor D2 in presence of Gpp(NH)p (pretreated with 100 nM)


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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0.0710n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060600
PNG
((S)-2-((S)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyraz...)
Show SMILES CC(C)C[C@H](N1CC(=O)N2CCC[C@H]2C1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H24N4O4/c1-9(2)6-11(14(22)17-7-12(16)20)19-8-13(21)18-5-3-4-10(18)15(19)23/h9-11H,3-8H2,1-2H3,(H2,16,20)(H,17,22)/t10-,11-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 100 nM) calculated for the high affinity components of the [3H]spiroperidol...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060600
PNG
((S)-2-((S)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyraz...)
Show SMILES CC(C)C[C@H](N1CC(=O)N2CCC[C@H]2C1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H24N4O4/c1-9(2)6-11(14(22)17-7-12(16)20)19-8-13(21)18-5-3-4-10(18)15(19)23/h9-11H,3-8H2,1-2H3,(H2,16,20)(H,17,22)/t10-,11-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recept...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060602
PNG
(2-[3-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]p...)
Show SMILES NC(=O)CN1CCC(N2CC(=O)N3CCC[C@H]3C2=O)C1=O
Show InChI InChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9?/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recept...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074093
PNG
((2R,3'S,8a'R)-5'-oxo-1-((S)-pyrrolidine-2-carbonyl...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 |r|
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-9-24-12-4-6-16(15(23)20(11)12)5-2-8-19(16)14(22)10-3-1-7-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11+,12+,16+/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recept...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060603
PNG
((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC(N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N12
Show InChI InChI=1S/C14H18N4O4S/c15-12(20)9-6-23-11-4-8(14(22)18(9)11)17-5-10(19)16-3-1-2-7(16)13(17)21/h7-9,11H,1-6H2,(H2,15,20)/t7-,8?,9+,11+/m0/s1
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0.0980n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recept...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060600
PNG
((S)-2-((S)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyraz...)
Show SMILES CC(C)C[C@H](N1CC(=O)N2CCC[C@H]2C1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H24N4O4/c1-9(2)6-11(14(22)17-7-12(16)20)19-8-13(21)18-5-3-4-10(18)15(19)23/h9-11H,3-8H2,1-2H3,(H2,16,20)(H,17,22)/t10-,11-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recep...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074092
PNG
(6'-oxo-1-[(2S)-tetrahydro-1H-2-pyrrolylcarbonyl]-(...)
Show SMILES NC(=O)C1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-4-8-24-12-9-16(15(23)20(11)12)5-2-7-19(16)14(22)10-3-1-6-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11?,12+,16+/m0/s1
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0.122n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recep...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060603
PNG
((3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC(N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N12
Show InChI InChI=1S/C14H18N4O4S/c15-12(20)9-6-23-11-4-8(14(22)18(9)11)17-5-10(19)16-3-1-2-7(16)13(17)21/h7-9,11H,1-6H2,(H2,15,20)/t7-,8?,9+,11+/m0/s1
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0.140n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recep...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060602
PNG
(2-[3-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]p...)
Show SMILES NC(=O)CN1CCC(N2CC(=O)N3CCC[C@H]3C2=O)C1=O
Show InChI InChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9?/m0/s1
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0.190n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine recep...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50074093
PNG
((2R,3'S,8a'R)-5'-oxo-1-((S)-pyrrolidine-2-carbonyl...)
Show SMILES NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 |r|
Show InChI InChI=1S/C16H24N4O3S/c17-13(21)11-9-24-12-4-6-16(15(23)20(11)12)5-2-8-19(16)14(22)10-3-1-7-18-10/h10-12,18H,1-9H2,(H2,17,21)/t10-,11+,12+,16+/m0/s1
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0.196n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for high affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.75n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in Guinea pig brain membranes using [3H]DAMGO


J Med Chem 39: 1816-22 (1996)


Article DOI: 10.1021/jm950807f
BindingDB Entry DOI: 10.7270/Q20865Z8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049563
PNG
(5-amino-2,4(Bis-4-cyclopropylmethyl-10,17-dihydrox...)
Show SMILES NC1=NC(=N[C@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)[C@]1(N)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |c:3,t:1,TLB:24:23:8:28.12.11,49:48:33:53.37.36|
Show InChI InChI=1S/C42H50N6O6/c43-35-40(10-12-42(52)28-18-24-6-8-26(50)32-30(24)38(42,34(40)54-32)14-16-48(28)20-22-3-4-22)46-36(45-35)39(44)9-11-41(51)27-17-23-5-7-25(49)31-29(23)37(41,33(39)53-31)13-15-47(27)19-21-1-2-21/h5-8,21-22,27-28,33-34,49-52H,1-4,9-20,44H2,(H2,43,45,46)/t27-,28-,33-,34-,37?,38?,39+,40+,41-,42-/m1/s1
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0.980n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in Guinea pig brain membranes


J Med Chem 39: 1816-22 (1996)


Article DOI: 10.1021/jm950807f
BindingDB Entry DOI: 10.7270/Q20865Z8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049560
PNG
((4S,5'R,13'R,17'S)-2-[(5R,13R,14R,17S)-14-amino-4-...)
Show SMILES N[C@]1(CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)C1=N[C@]2(CC[C@@]3(O)[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4CC2CC2)c56)C(=O)N1 |t:31,TLB:46:45:30:50.34.33,20:19:4:24.8.7|
Show InChI InChI=1S/C42H49N5O7/c43-39(9-11-41(51)27-17-23-5-7-25(48)31-29(23)37(41,33(39)53-31)13-15-46(27)19-21-1-2-21)35-44-36(50)40(45-35)10-12-42(52)28-18-24-6-8-26(49)32-30(24)38(42,34(40)54-32)14-16-47(28)20-22-3-4-22/h5-8,21-22,27-28,33-34,48-49,51-52H,1-4,9-20,43H2,(H,44,45,50)/t27-,28-,33-,34-,37?,38?,39+,40+,41-,42-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in Guinea pig brain membranes


J Med Chem 39: 1816-22 (1996)


Article DOI: 10.1021/jm950807f
BindingDB Entry DOI: 10.7270/Q20865Z8
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50061156
PNG
((S)-10,13-Dimethyl-6-prop-2-ynyl-1,6,7,8,9,10,11,1...)
Show SMILES CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O |t:11|
Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h1,13-14,16-18H,5-12H2,2-3H3/t14-,16?,17?,18?,21?,22?/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50421840
PNG
(MDL-18962 | PLOMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CC#C)[C@@H]1CCC2=O |t:8|
Show InChI InChI=1S/C21H26O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,13,16-18H,4-12H2,2H3/t16-,17-,18-,20-,21-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Delta Opioid receptor in Guinea pig brain membranes using [3H]DAMGO+DADLE


J Med Chem 39: 1816-22 (1996)


Article DOI: 10.1021/jm950807f
BindingDB Entry DOI: 10.7270/Q20865Z8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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36n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Kappa Opioid receptor in Guinea pig brain membranes using [3H]-DAMGO+EKC


J Med Chem 39: 1816-22 (1996)


Article DOI: 10.1021/jm950807f
BindingDB Entry DOI: 10.7270/Q20865Z8
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50061153
PNG
((R)-10,13-Dimethyl-6-prop-2-ynyl-1,6,7,8,9,10,11,1...)
Show SMILES CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O |t:11|
Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h1,13-14,16-18H,5-12H2,2-3H3/t14-,16?,17?,18?,21?,22?/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50061154
PNG
((S)-13-Methyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O |t:11|
Show InChI InChI=1S/C21H26O2/c1-3-4-13-11-18-16(15-6-5-14(22)12-17(13)15)9-10-21(2)19(18)7-8-20(21)23/h1,12-13,15-16,18-19H,4-11H2,2H3/t13-,15?,16?,18?,19?,21?/m1/s1
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47.6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060602
PNG
(2-[3-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]p...)
Show SMILES NC(=O)CN1CCC(N2CC(=O)N3CCC[C@H]3C2=O)C1=O
Show InChI InChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9?/m0/s1
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50n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recept...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060602
PNG
(2-[3-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]p...)
Show SMILES NC(=O)CN1CCC(N2CC(=O)N3CCC[C@H]3C2=O)C1=O
Show InChI InChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9?/m0/s1
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56n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p (Pre treated with 1 nM) calculated for the high affinity components of the [3H]spiroperidol bi...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p (Pre treated with 1 uM) calculated for the high affinity components of the [3H]spiroperidol bi...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in presence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recept...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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60.1n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of G...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060602
PNG
(2-[3-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]p...)
Show SMILES NC(=O)CN1CCC(N2CC(=O)N3CCC[C@H]3C2=O)C1=O
Show InChI InChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9?/m0/s1
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64n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Percentage of receptor in the high affinity form for the compound to Dopamine receptor D2 in absence of Gpp(NH)p (pre treated with 1 nM)


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50061155
PNG
((R)-13-Methyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O |t:11|
Show InChI InChI=1S/C21H26O2/c1-3-4-13-11-18-16(15-6-5-14(22)12-17(13)15)9-10-21(2)19(18)7-8-20(21)23/h1,12-13,15-16,18-19H,4-11H2,2H3/t13-,15?,16?,18?,19?,21?/m0/s1
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65.8n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060602
PNG
(2-[3-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]p...)
Show SMILES NC(=O)CN1CCC(N2CC(=O)N3CCC[C@H]3C2=O)C1=O
Show InChI InChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9?/m0/s1
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69n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recepto...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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73n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine recepto...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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73.2n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of G...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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78n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitor constant of compound for low affinity component of [3H]-spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of ...


J Med Chem 42: 628-37 (1999)


Article DOI: 10.1021/jm980525q
BindingDB Entry DOI: 10.7270/Q27080MW
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060601
PNG
((E)-6-(3-oxo-3-phenylprop-1-enyl)pyrimidine-2,4(1H...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
Show InChI InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
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78n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Percentage of receptor in the high affinity form for the compound to Dopamine receptor D2 in absence of Gpp(NH)p (pre treated with 1 uM)


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049563
PNG
(5-amino-2,4(Bis-4-cyclopropylmethyl-10,17-dihydrox...)
Show SMILES NC1=NC(=N[C@]11CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45)[C@]1(N)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1C2(CCN3CC1CC1)c45 |c:3,t:1,TLB:24:23:8:28.12.11,49:48:33:53.37.36|
Show InChI InChI=1S/C42H50N6O6/c43-35-40(10-12-42(52)28-18-24-6-8-26(50)32-30(24)38(42,34(40)54-32)14-16-48(28)20-22-3-4-22)46-36(45-35)39(44)9-11-41(51)27-17-23-5-7-25(49)31-29(23)37(41,33(39)53-31)13-15-47(27)19-21-1-2-21/h5-8,21-22,27-28,33-34,49-52H,1-4,9-20,44H2,(H2,43,45,46)/t27-,28-,33-,34-,37?,38?,39+,40+,41-,42-/m1/s1
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88n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Kappa Opioid receptor in Guinea pig brain membranes


J Med Chem 39: 1816-22 (1996)


Article DOI: 10.1021/jm950807f
BindingDB Entry DOI: 10.7270/Q20865Z8
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50060600
PNG
((S)-2-((S)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyraz...)
Show SMILES CC(C)C[C@H](N1CC(=O)N2CCC[C@H]2C1=O)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H24N4O4/c1-9(2)6-11(14(22)17-7-12(16)20)19-8-13(21)18-5-3-4-10(18)15(19)23/h9-11H,3-8H2,1-2H3,(H2,16,20)(H,17,22)/t10-,11-/m0/s1
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91n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory constant of compound in absence of Gpp(NH)p (Pretreated with 100 nM) calculated for the high affinity components of the [3H]spiroperidol b...


J Med Chem 40: 3594-600 (1997)


Article DOI: 10.1021/jm970328b
BindingDB Entry DOI: 10.7270/Q2HX1DBD
More data for this
Ligand-Target Pair
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