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6 similar compounds to monomer 50028421

Compile data set for download or QSAR
Wt: 314.4
BDBM86233
Wt: 314.4
BDBM50017543
Purchase
Wt: 240.3
BDBM50016489
Wt: 240.3
BDBM50040150
Wt: 296.4
BDBM50070183
Wt: 296.4
BDBM50070194

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 86233,50017543,50016489,50040150,50070183,50070194   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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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1n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride as radioligand


J Med Chem 36: 1301-15 (1993)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
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
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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1.80n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand


J Med Chem 36: 1301-15 (1993)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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
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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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
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
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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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
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
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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4n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.


J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM86233
PNG
(CAS_66104-22-1 | NSC_47812 | PERGOLIDE)
Show SMILES CCCN1CC(CSC)CC2C1Cc1c[nH]c3cccc2c13
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
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14n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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
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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26n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125]iodosulpride from human recombinant dopamine D2L receptor expressed in CHO cells after 30 mins


J Med Chem 57: 5823-8 (2014)


Article DOI: 10.1021/jm5003759
BindingDB Entry DOI: 10.7270/Q2D79D04
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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
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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50n/an/an/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D2


J Med Chem 41: 4385-99 (1998)


Article DOI: 10.1021/jm9800292
BindingDB Entry DOI: 10.7270/Q2R21227
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM86233
PNG
(CAS_66104-22-1 | NSC_47812 | PERGOLIDE)
Show SMILES CCCN1CC(CSC)CC2C1Cc1c[nH]c3cccc2c13
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
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53n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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
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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2.02E+3n/an/an/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D1


J Med Chem 41: 4385-99 (1998)


Article DOI: 10.1021/jm9800292
BindingDB Entry DOI: 10.7270/Q2R21227
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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/an/a 40n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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/an/a 4n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50070194
PNG
((6aR,9R,10aR)-3-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-8-15-14-6-7-16(20(2,3)4)19-18(14)13(10-21-19)9-17(15)22(5)11-12/h6-7,10,12,15,17,21H,8-9,11H2,1-5H3/t12-,15-,17-/m1/s1
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n/an/a 3.74E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from D2 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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 250n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from D2 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50070194
PNG
((6aR,9R,10aR)-3-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-8-15-14-6-7-16(20(2,3)4)19-18(14)13(10-21-19)9-17(15)22(5)11-12/h6-7,10,12,15,17,21H,8-9,11H2,1-5H3/t12-,15-,17-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50070183
PNG
((6aR,9R,10aR)-2-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-6-15-16-8-14(20(2,3)4)9-17-19(16)13(10-21-17)7-18(15)22(5)11-12/h8-10,12,15,18,21H,6-7,11H2,1-5H3/t12-,15-,18-/m1/s1
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n/an/a 9.13E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiroperidol from D2 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
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 4.34E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23,390 from D1 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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 260n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50070183
PNG
((6aR,9R,10aR)-2-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-6-15-16-8-14(20(2,3)4)9-17-19(16)13(10-21-17)7-18(15)22(5)11-12/h8-10,12,15,18,21H,6-7,11H2,1-5H3/t12-,15-,18-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50070194
PNG
((6aR,9R,10aR)-3-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-8-15-14-6-7-16(20(2,3)4)19-18(14)13(10-21-19)9-17(15)22(5)11-12/h6-7,10,12,15,17,21H,8-9,11H2,1-5H3/t12-,15-,17-/m1/s1
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n/an/a 7.53E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH-23,390 from D1 receptor in rat striatum


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
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
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)


Article DOI: 10.1021/jm00362a005
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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/an/a 45n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL 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
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 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dihydrofolate reductase of rat liver


J Med Chem 28: 367-75 (1985)


Article DOI: 10.1021/jm00381a017
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
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
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 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dihydrofolate reductase of rat liver


J Med Chem 28: 367-75 (1985)


Article DOI: 10.1021/jm00381a017
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (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
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 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dihydrofolate reductase Inhibitor of chicken liver


J Med Chem 28: 367-75 (1985)


Article DOI: 10.1021/jm00381a017
More data for this
Ligand-Target Pair
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
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 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase using 10 uM qBH2 and 50 uM NADH assays


J Med Chem 28: 367-75 (1985)


Article DOI: 10.1021/jm00381a017
More data for this
Ligand-Target Pair
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
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
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 385n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against serotonin receptor from whole rat brain using [3H]5-HT as radioligand


J Med Chem 28: 367-75 (1985)


Article DOI: 10.1021/jm00381a017
More data for this
Ligand-Target Pair
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
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 145n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against dopamine receptor from calf caudate using [3H]spiperone as radioligand


J Med Chem 28: 367-75 (1985)


Article DOI: 10.1021/jm00381a017
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50070194
PNG
((6aR,9R,10aR)-3-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-8-15-14-6-7-16(20(2,3)4)19-18(14)13(10-21-19)9-17(15)22(5)11-12/h6-7,10,12,15,17,21H,8-9,11H2,1-5H3/t12-,15-,17-/m1/s1
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n/an/a 9.43E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50070183
PNG
((6aR,9R,10aR)-2-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-6-15-16-8-14(20(2,3)4)9-17-19(16)13(10-21-17)7-18(15)22(5)11-12/h8-10,12,15,18,21H,6-7,11H2,1-5H3/t12-,15-,18-/m1/s1
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n/an/a 4.94E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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 1.67E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
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 180n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
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 2.79E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070183
PNG
((6aR,9R,10aR)-2-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-6-15-16-8-14(20(2,3)4)9-17-19(16)13(10-21-17)7-18(15)22(5)11-12/h8-10,12,15,18,21H,6-7,11H2,1-5H3/t12-,15-,18-/m1/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50070183
PNG
((6aR,9R,10aR)-2-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-6-15-16-8-14(20(2,3)4)9-17-19(16)13(10-21-17)7-18(15)22(5)11-12/h8-10,12,15,18,21H,6-7,11H2,1-5H3/t12-,15-,18-/m1/s1
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n/an/a 8.95E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50070194
PNG
((6aR,9R,10aR)-3-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-8-15-14-6-7-16(20(2,3)4)19-18(14)13(10-21-19)9-17(15)22(5)11-12/h6-7,10,12,15,17,21H,8-9,11H2,1-5H3/t12-,15-,17-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070194
PNG
((6aR,9R,10aR)-3-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-8-15-14-6-7-16(20(2,3)4)19-18(14)13(10-21-19)9-17(15)22(5)11-12/h6-7,10,12,15,17,21H,8-9,11H2,1-5H3/t12-,15-,17-/m1/s1
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n/an/a 1.23E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Bioorg Med Chem Lett 8: 1117-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00166-8
BindingDB Entry DOI: 10.7270/Q2M61JF3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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 440n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 2 receptor from rat frontal cortex homogenates by [3H]-spiperone displacement.


J Med Chem 31: 1512-9 (1988)


Article DOI: 10.1021/jm00403a007
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
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 360n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1 receptor using [3H]5-HT as a radioligand from rat frontal cortex homogenates


J Med Chem 31: 1512-9 (1988)


Article DOI: 10.1021/jm00403a007
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF-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
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 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex


J Med Chem 26: 363-7 (1983)


Article DOI: 10.1021/jm00357a010
More data for this
Ligand-Target Pair
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
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 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in rat striatal membranes


J Med Chem 26: 363-7 (1983)


Article DOI: 10.1021/jm00357a010
More data for this
Ligand-Target Pair
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
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)


Article DOI: 10.1021/jm00362a005
More data for this
Ligand-Target Pair
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
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)


Article DOI: 10.1021/jm00362a005
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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/an/a 30n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
DRD2


(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)


Article DOI: 10.1021/jm00059a017
BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
DRD2


(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)


Article DOI: 10.1021/jm00059a017
BindingDB Entry DOI: 10.7270/Q2FJ2FT2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL 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
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 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor activity assessed in vitro for displacement of [3H]clonidine from specific binding sites on rat striatal membranes


J Med Chem 27: 1607-13 (1984)


Article DOI: 10.1021/jm00378a014
More data for this
Ligand-Target Pair
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
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 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopaminergic activity assessed in vitro for displacement of [3H]apomorphine from specific binding sites on rat striatal membranes


J Med Chem 27: 1607-13 (1984)


Article DOI: 10.1021/jm00378a014
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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)


Article DOI: 10.1021/jm00130a027
BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
DRD2


(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
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)


Article DOI: 10.1021/jm00130a027
BindingDB Entry DOI: 10.7270/Q2445KGF
More data for this
Ligand-Target Pair
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