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Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'pradhan' and Initial = 'a'   
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 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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0.0800n/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)
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))
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
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
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
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)
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
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
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
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
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 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
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
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
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)
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
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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104n/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 low 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)
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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106n/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 low 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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120n/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)
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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122n/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 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
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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168n/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)
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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171n/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)
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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172n/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)
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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183n/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))
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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188n/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))
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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190n/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))
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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196n/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
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