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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'clemens' and Initial = 'ja'   
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


(Rattus norvegicus (rat))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]apomorphine binding to dopamine receptor of rat corpus striatum


J Med Chem 26: 1112-6 (1983)


BindingDB Entry DOI: 10.7270/Q29G5Q18
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine binding to dopamine receptor of rat corpus striatum


J Med Chem 26: 1112-6 (1983)


BindingDB Entry DOI: 10.7270/Q29G5Q18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 30n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor of rat corpus striatum


J Med Chem 26: 1112-6 (1983)


BindingDB Entry DOI: 10.7270/Q29G5Q18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017539
PNG
(CHEMBL80414 | Propyl-(4,5,6,7-tetrahydro-2H-indazo...)
Show SMILES CCCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C10H17N3/c1-2-5-11-9-3-4-10-8(6-9)7-12-13-10/h7,9,11H,2-6H2,1H3,(H,12,13)
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n/an/a 65n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017542
PNG
(CHEMBL80437 | Phenethyl-propyl-(4,5,6,7-tetrahydro...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C18H25N3/c1-2-11-21(12-10-15-6-4-3-5-7-15)17-8-9-18-16(13-17)14-19-20-18/h3-7,14,17H,2,8-13H2,1H3,(H,19,20)
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n/an/a 140n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040152
PNG
(7,9-Dimethyl-5-phenylsulfanyl-4,6,6a,7,8,10a-hexah...)
Show SMILES CN1CC(C)=C[C@H]2[C@H]1Cc1c(Sc3ccccc3)[nH]c3cccc2c13 |c:4|
Show InChI InChI=1S/C22H22N2S/c1-14-11-17-16-9-6-10-19-21(16)18(12-20(17)24(2)13-14)22(23-19)25-15-7-4-3-5-8-15/h3-11,17,20,23H,12-13H2,1-2H3/t17-,20-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017547
PNG
(CHEMBL421512 | Propyl-(4,5,6,7-tetrahydro-2H-indaz...)
Show SMILES CCCN(CCc1cccs1)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C16H23N3S/c1-2-8-19(9-7-15-4-3-10-20-15)14-5-6-16-13(11-14)12-17-18-16/h3-4,10,12,14H,2,5-9,11H2,1H3,(H,17,18)
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n/an/a 160n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040151
PNG
(7,9-Dimethyl-5-phenylsulfanyl-4,6,6a,7,8,9,10,10a-...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c(Sc4ccccc4)[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C22H24N2S/c1-14-11-17-16-9-6-10-19-21(16)18(12-20(17)24(2)13-14)22(23-19)25-15-7-4-3-5-8-15/h3-10,14,17,20,23H,11-13H2,1-2H3/t14-,17-,20-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040156
PNG
(5-Benzylsulfanyl-7,9-dimethyl-4,6,6a,7,8,10a-hexah...)
Show SMILES CN1CC(C)=C[C@H]2[C@H]1Cc1c(SCc3ccccc3)[nH]c3cccc2c13 |c:4|
Show InChI InChI=1S/C23H24N2S/c1-15-11-18-17-9-6-10-20-22(17)19(12-21(18)25(2)13-15)23(24-20)26-14-16-7-4-3-5-8-16/h3-11,18,21,24H,12-14H2,1-2H3/t18-,21-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224978
PNG
(CHEMBL417076)
Show SMILES [H][C@]12CCCN(CCC)C1Cc1c[nH]nc1C2 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13?/m1/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]apomorphine binding to dopamine receptor of rat corpus striatum


J Med Chem 26: 1112-6 (1983)


BindingDB Entry DOI: 10.7270/Q29G5Q18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017550
PNG
(CHEMBL76399 | N*6*-Propyl-4,5,6,7-tetrahydro-benzo...)
Show SMILES CCCNC1CCc2nc(N)sc2C1
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)
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n/an/a 280n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017551
PNG
((3-Methylsulfanyl-propyl)-propyl-(4,5,6,7-tetrahyd...)
Show SMILES CCCN(CCCSC)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C14H25N3S/c1-3-7-17(8-4-9-18-2)13-5-6-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
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n/an/a 310n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040135
PNG
(7,9-Dimethyl-5-methylsulfanyl-4,6,6a,7,8,10a-hexah...)
Show SMILES CSc1[nH]c2cc(O)cc3[C@H]4C=C(C)CN(C)[C@@H]4Cc1c23 |t:11|
Show InChI InChI=1S/C17H20N2OS/c1-9-4-11-12-5-10(20)6-14-16(12)13(17(18-14)21-3)7-15(11)19(2)8-9/h4-6,11,15,18,20H,7-8H2,1-3H3/t11-,15-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040146
PNG
((7-Methyl-5-methylsulfanyl-4,6,6a,7,8,10a-hexahydr...)
Show SMILES CSc1[nH]c2cccc3[C@H]4C=C(CO)CN(C)[C@@H]4Cc1c23 |t:10|
Show InChI InChI=1S/C17H20N2OS/c1-19-8-10(9-20)6-12-11-4-3-5-14-16(11)13(7-15(12)19)17(18-14)21-2/h3-6,12,15,18,20H,7-9H2,1-2H3/t12-,15-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017541
PNG
(Butyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-...)
Show SMILES CCCCN(CCC)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C14H25N3/c1-3-5-9-17(8-4-2)13-6-7-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
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n/an/a 330n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040144
PNG
(7,9-Dimethyl-5-methylsulfanyl-4,6,6a,7,8,10a-hexah...)
Show SMILES CSc1[nH]c2cccc3[C@H]4C=C(C)CN(C)[C@@H]4Cc1c23 |t:10|
Show InChI InChI=1S/C17H20N2S/c1-10-7-12-11-5-4-6-14-16(11)13(17(18-14)20-3)8-15(12)19(2)9-10/h4-7,12,15,18H,8-9H2,1-3H3/t12-,15-/m1/s1
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Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040153
PNG
(5-Hexylsulfanyl-7,9-dimethyl-4,6,6a,7,8,10a-hexahy...)
Show SMILES CCCCCCSc1[nH]c2cccc3[C@H]4C=C(C)CN(C)[C@@H]4Cc1c23 |t:15|
Show InChI InChI=1S/C22H30N2S/c1-4-5-6-7-11-25-22-18-13-20-17(12-15(2)14-24(20)3)16-9-8-10-19(23-22)21(16)18/h8-10,12,17,20,23H,4-7,11,13-14H2,1-3H3/t17-,20-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040139
PNG
(7,9-Dimethyl-5-phenylsulfanyl-4,6,6a,7,8,9,10,10a-...)
Show SMILES C[C@H]1C[C@H]2[C@@H](Cc3c(Sc4ccccc4)[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C22H24N2S/c1-14-11-17-16-9-6-10-19-21(16)18(12-20(17)24(2)13-14)22(23-19)25-15-7-4-3-5-8-15/h3-10,14,17,20,23H,11-13H2,1-2H3/t14-,17+,20+/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017544
PNG
(CHEMBL77421 | Ethyl-(4,5,6,7-tetrahydro-2H-indazol...)
Show SMILES CCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C9H15N3/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h6,8,10H,2-5H2,1H3,(H,11,12)
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n/an/a 610n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040140
PNG
(7,9-Dimethyl-5-propylsulfanyl-4,6,6a,7,8,10a-hexah...)
Show SMILES CCCSc1[nH]c2cccc3[C@H]4C=C(C)CN(C)[C@@H]4Cc1c23 |t:12|
Show InChI InChI=1S/C19H24N2S/c1-4-8-22-19-15-10-17-14(9-12(2)11-21(17)3)13-6-5-7-16(20-19)18(13)15/h5-7,9,14,17,20H,4,8,10-11H2,1-3H3/t14-,17-/m1/s1
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n/an/a 740n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040147
PNG
(7,9-Dimethyl-5-methylsulfanyl-4,6,6a,7,8,9,10,10a-...)
Show SMILES CSc1[nH]c2cccc3[C@H]4C[C@@H](C)CN(C)[C@@H]4Cc1c23
Show InChI InChI=1S/C17H22N2S/c1-10-7-12-11-5-4-6-14-16(11)13(17(18-14)20-3)8-15(12)19(2)9-10/h4-6,10,12,15,18H,7-9H2,1-3H3/t10-,12-,15-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040143
PNG
(4,7,9-Trimethyl-5-methylsulfanyl-4,6,6a,7,8,10a-he...)
Show SMILES CSc1c2C[C@@H]3[C@H](C=C(C)CN3C)c3cccc(n1C)c23 |t:7|
Show InChI InChI=1S/C18H22N2S/c1-11-8-13-12-6-5-7-15-17(12)14(18(21-4)20(15)3)9-16(13)19(2)10-11/h5-8,13,16H,9-10H2,1-4H3/t13-,16-/m1/s1
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n/an/a 760n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50016490
PNG
((6aR,10aR)-7,9-Dimethyl-4,6,6a,7,8,10a-hexahydro-i...)
Show SMILES CN1CC(C)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:4|
Show InChI InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1
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n/an/a 890n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040148
PNG
(5-Ethylsulfanyl-7,9-dimethyl-4,6,6a,7,8,10a-hexahy...)
Show SMILES CCSc1[nH]c2cccc3[C@H]4C=C(C)CN(C)[C@@H]4Cc1c23 |t:11|
Show InChI InChI=1S/C18H22N2S/c1-4-21-18-14-9-16-13(8-11(2)10-20(16)3)12-6-5-7-15(19-18)17(12)14/h5-8,13,16,19H,4,9-10H2,1-3H3/t13-,16-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017550
PNG
(CHEMBL76399 | N*6*-Propyl-4,5,6,7-tetrahydro-benzo...)
Show SMILES CCCNC1CCc2nc(N)sc2C1
Show InChI InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017542
PNG
(CHEMBL80437 | Phenethyl-propyl-(4,5,6,7-tetrahydro...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C18H25N3/c1-2-11-21(12-10-15-6-4-3-5-7-15)17-8-9-18-16(13-17)14-19-20-18/h3-7,14,17H,2,8-13H2,1H3,(H,19,20)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017546
PNG
(CHEMBL311225 | Methyl-propyl-(4,5,6,7-tetrahydro-2...)
Show SMILES CCCN(C)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C11H19N3/c1-3-6-14(2)10-4-5-11-9(7-10)8-12-13-11/h8,10H,3-7H2,1-2H3,(H,12,13)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040137
PNG
(5-Isopropylsulfanyl-7,9-dimethyl-4,6,6a,7,8,10a-he...)
Show SMILES CC(C)Sc1[nH]c2cccc3[C@H]4C=C(C)CN(C)[C@@H]4Cc1c23 |t:12|
Show InChI InChI=1S/C19H24N2S/c1-11(2)22-19-15-9-17-14(8-12(3)10-21(17)4)13-6-5-7-16(20-19)18(13)15/h5-8,11,14,17,20H,9-10H2,1-4H3/t14-,17-/m1/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017547
PNG
(CHEMBL421512 | Propyl-(4,5,6,7-tetrahydro-2H-indaz...)
Show SMILES CCCN(CCc1cccs1)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C16H23N3S/c1-2-8-19(9-7-15-4-3-10-20-15)14-5-6-16-13(11-14)12-17-18-16/h3-4,10,12,14H,2,5-9,11H2,1H3,(H,17,18)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040154
PNG
(9-Methyl-5-methylsulfanyl-7-propyl-4,6,6a,7,8,10a-...)
Show SMILES CCCN1CC(C)=C[C@H]2[C@H]1Cc1c(SC)[nH]c3cccc2c13 |c:6|
Show InChI InChI=1S/C19H24N2S/c1-4-8-21-11-12(2)9-14-13-6-5-7-16-18(13)15(10-17(14)21)19(20-16)22-3/h5-7,9,14,17,20H,4,8,10-11H2,1-3H3/t14-,17-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040145
PNG
(7,9-Dimethyl-5-propylsulfanyl-4,6,6a,7,8,9,10,10a-...)
Show SMILES CCCSc1[nH]c2cccc3[C@H]4C[C@@H](C)CN(C)[C@@H]4Cc1c23
Show InChI InChI=1S/C19H26N2S/c1-4-8-22-19-15-10-17-14(9-12(2)11-21(17)3)13-6-5-7-16(20-19)18(13)15/h5-7,12,14,17,20H,4,8-11H2,1-3H3/t12-,14-,17-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017540
PNG
((3-Methylsulfanyl-propyl)-(4,5,6,7-tetrahydro-2H-i...)
Show SMILES CSCCCNC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C11H19N3S/c1-15-6-2-5-12-10-3-4-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14)
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n/an/a 2.03E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040136
PNG
(7-Ethyl-9-methyl-5-methylsulfanyl-4,6,6a,7,8,10a-h...)
Show SMILES CCN1CC(C)=C[C@H]2[C@H]1Cc1c(SC)[nH]c3cccc2c13 |c:5|
Show InChI InChI=1S/C18H22N2S/c1-4-20-10-11(2)8-13-12-6-5-7-15-17(12)14(9-16(13)20)18(19-15)21-3/h5-8,13,16,19H,4,9-10H2,1-3H3/t13-,16-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040149
PNG
(7,9-Dimethyl-5-methylsulfanyl-4,6,6a,7,8,9,10,10a-...)
Show SMILES CSc1[nH]c2cccc3[C@H]4C[C@H](C)CN(C)[C@@H]4Cc1c23
Show InChI InChI=1S/C17H22N2S/c1-10-7-12-11-5-4-6-14-16(11)13(17(18-14)20-3)8-15(12)19(2)9-10/h4-6,10,12,15,18H,7-9H2,1-3H3/t10-,12+,15+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040142
PNG
((7,9-Dimethyl-5-methylsulfanyl-6a,7,8,10a-tetrahyd...)
Show SMILES CSc1c2C[C@@H]3[C@H](C=C(C)CN3C)c3cccc(n1CO)c23 |t:7|
Show InChI InChI=1S/C18H22N2OS/c1-11-7-13-12-5-4-6-15-17(12)14(8-16(13)19(2)9-11)18(22-3)20(15)10-21/h4-7,13,16,21H,8-10H2,1-3H3/t13-,16-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040138
PNG
(9-Methyl-5-methylsulfanyl-4,6,6a,7,8,10a-hexahydro...)
Show SMILES CSc1[nH]c2cccc3[C@H]4C=C(C)CN[C@@H]4Cc1c23 |t:10|
Show InChI InChI=1S/C16H18N2S/c1-9-6-11-10-4-3-5-13-15(10)12(16(18-13)19-2)7-14(11)17-8-9/h3-6,11,14,17-18H,7-8H2,1-2H3/t11-,14-/m1/s1
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n/an/a 3.43E+3n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224978
PNG
(CHEMBL417076)
Show SMILES [H][C@]12CCCN(CCC)C1Cc1c[nH]nc1C2 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13?/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]apomorphine binding to dopamine receptor of rat corpus striatum


J Med Chem 26: 1112-6 (1983)


BindingDB Entry DOI: 10.7270/Q29G5Q18
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224978
PNG
(CHEMBL417076)
Show SMILES [H][C@]12CCCN(CCC)C1Cc1c[nH]nc1C2 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13?/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]apomorphine binding to dopamine receptor of rat corpus striatum


J Med Chem 26: 1112-6 (1983)


BindingDB Entry DOI: 10.7270/Q29G5Q18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017551
PNG
((3-Methylsulfanyl-propyl)-propyl-(4,5,6,7-tetrahyd...)
Show SMILES CCCN(CCCSC)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C14H25N3S/c1-3-7-17(8-4-9-18-2)13-5-6-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
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n/an/a 3.99E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50016489
PNG
((6aR,9R,10aR)-7,9-Dimethyl-4,6,6a,7,8,9,10,10a-oct...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13-,15-/m1/s1
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n/an/a 4.18E+3n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040150
PNG
(7,9-Dimethyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[...)
Show SMILES C[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13+,15+/m0/s1
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n/an/a 7.94E+3n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017546
PNG
(CHEMBL311225 | Methyl-propyl-(4,5,6,7-tetrahydro-2...)
Show SMILES CCCN(C)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C11H19N3/c1-3-6-14(2)10-4-5-11-9(7-10)8-12-13-11/h8,10H,3-7H2,1-2H3,(H,12,13)
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n/an/a 8.33E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017545
PNG
((4,5,6,7-Tetrahydro-2H-indazol-5-yl)-(2-thiophen-2...)
Show SMILES C(Cc1cccs1)NC1CCc2[nH]ncc2C1
Show InChI InChI=1S/C13H17N3S/c1-2-12(17-7-1)5-6-14-11-3-4-13-10(8-11)9-15-16-13/h1-2,7,9,11,14H,3-6,8H2,(H,15,16)
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n/an/a 9.16E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in rat corpus striatum using [3H]-Apomorphine as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017541
PNG
(Butyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-...)
Show SMILES CCCCN(CCC)C1CCc2[nH]ncc2C1
Show InChI InChI=1S/C14H25N3/c1-3-5-9-17(8-4-2)13-6-7-14-12(10-13)11-15-16-14/h11,13H,3-10H2,1-2H3,(H,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]-Spiperone as radioligand


J Med Chem 32: 2388-96 (1989)


BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50040155
PNG
(5-Methanesulfonyl-7,9-dimethyl-4,6,6a,7,8,10a-hexa...)
Show SMILES CN1CC(C)=C[C@H]2[C@H]1Cc1c([nH]c3cccc2c13)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C17H20N2O2S/c1-10-7-12-11-5-4-6-14-16(11)13(8-15(12)19(2)9-10)17(18-14)22(3,20)21/h4-7,12,15,18H,8-9H2,1-3H3/t12-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Centre Ltd.

Curated by ChEMBL


Assay Description
Competition in vitro with the dopamine receptor D2 anatagonist [3H]-spiperone, for binding sites on calf caudate membranes.


J Med Chem 36: 912-8 (1993)


BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
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