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Compile Data Set for Download or QSAR

Found 188 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50016778
PNG
(1-Ethyl-2-[(2-methoxy-5-sulfamoyl-benzoylamino)-me...)
Show SMILES CC[S+]1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H22N2O4S2/c1-3-22-8-4-5-11(22)10-17-15(18)13-9-12(23(16,19)20)6-7-14(13)21-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2-,16,17,18,19,20)/p+1
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5.20n/an/an/an/an/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]- spiperone from D2 binding site in rat striatal membranes


J Med Chem 32: 874-80 (1989)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity analysed on 5-HT 2C in human clone using [3H]mesulergine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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11n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affininity of the compound to 5-hydroxytryptamine 2C receptor using [3H]-Mesulergine as radioligand in stably transfected NIH3T3 cells


Bioorg Med Chem Lett 11: 655-8 (2001)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50078561
PNG
(CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,23,28H,2-4,6,9-16H2,1H3
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22n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Dopamine receptor D2


Bioorg Med Chem Lett 9: 1679-82 (1999)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM35920
PNG
(9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...)
Show SMILES NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
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43n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 2C receptor using [3H]Mesulergine as radioligand in stably transfected NIH3T3 cells


Bioorg Med Chem Lett 11: 655-8 (2001)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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112n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells


Bioorg Med Chem Lett 11: 655-8 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM82272
PNG
(SB 200646 | SB200646a)
Show SMILES Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
Show InChI InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)
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138n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity analysed on 5-HT 2C in rat stomach fundus


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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160n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affininity of the compound to 5-hydroxytryptamine 2C receptor using [3H]-Mesulergine as radioligand in stably transfected NIH3T3 cells


Bioorg Med Chem Lett 11: 655-8 (2001)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM186927
PNG
(US9079895, 19s)
Show SMILES C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12
Show InChI InChI=1/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/s2
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342n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50088754
PNG
(CHEMBL274577 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-11-10-16-12-21(24)22(26)13-19(16)20(14-25)17-8-4-5-9-18(17)23(27)15-6-2-3-7-15;3*1-2;/h2-9,12-13,20,26H,10-11,14H2,1H3;3*1H;
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549n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50088755
PNG
(5-(2-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1Br
Show InChI InChI=1S/C17H17BrClNO/c1-20-7-6-11-8-16(19)17(21)9-13(11)14(10-20)12-4-2-3-5-15(12)18/h2-5,8-9,14,21H,6-7,10H2,1H3
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583n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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726n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells


Bioorg Med Chem Lett 11: 655-8 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM186969
PNG
(US9079895, 32s)
Show SMILES Fc1ccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)cc1
Show InChI InChI=1/C21H25FN2O2/c22-18-5-7-19(8-6-18)26-16-20-15-23(13-14-25-20)11-12-24-10-9-17-3-1-2-4-21(17)24/h1-8,20H,9-16H2/t20-/s2
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1.11E+3n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50088753
PNG
(5-(3-Bromo-phenyl)-8-chloro-3-methyl-2,3,4,5-tetra...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(Br)c1
Show InChI InChI=1S/C17H17BrClNO/c1-20-6-5-12-8-16(19)17(21)9-14(12)15(10-20)11-3-2-4-13(18)7-11/h2-4,7-9,15,21H,5-6,10H2,1H3
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1.12E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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1.21E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM84991
PNG
(CAS_3277600 | NSC_3277600 | SB204741)
Show SMILES Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
Show InChI InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)
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1.51E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity analysed on 5-HT 2C in human clone using [3H]mesulergine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM186935
PNG
(US9079895, 23s)
Show SMILES Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1/C21H25ClN2O2/c22-18-5-3-6-19(14-18)26-16-20-15-23(12-13-25-20)10-11-24-9-8-17-4-1-2-7-21(17)24/h1-7,14,20H,8-13,15-16H2/t20-/s2
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1.89E+3n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM186935
PNG
(US9079895, 23s)
Show SMILES Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1/C21H25ClN2O2/c22-18-5-3-6-19(14-18)26-16-20-15-23(12-13-25-20)10-11-24-9-8-17-4-1-2-7-21(17)24/h1-7,14,20H,8-13,15-16H2/t20-/s2
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3.39E+3n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/s2
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3.76E+3n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM186968
PNG
(US9079895, 70)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cc(C)ccn2)C1
Show InChI InChI=1/C22H27N3O3/c1-16-7-8-23-21(11-16)28-15-19-13-24(9-10-27-19)14-22(26)25-17(2)12-18-5-3-4-6-20(18)25/h3-8,11,17,19H,9-10,12-15H2,1-2H3/t17?,19-/s2
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6.37E+3n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM186927
PNG
(US9079895, 19s)
Show SMILES C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12
Show InChI InChI=1/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/s2
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6.74E+3n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity analysed towards 5-HT 2C in rat stomach fundus


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM186933
PNG
(US9079895, 23r)
Show SMILES Clc1cccc(OC[C@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1/C21H25ClN2O2/c22-18-5-3-6-19(14-18)26-16-20-15-23(12-13-25-20)10-11-24-9-8-17-4-1-2-7-21(17)24/h1-7,14,20H,8-13,15-16H2/t20-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM186942
PNG
(US9079895, 27s)
Show SMILES Clc1cncc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1/C20H24ClN3O2/c21-17-11-18(13-22-12-17)26-15-19-14-23(9-10-25-19)7-8-24-6-5-16-3-1-2-4-20(16)24/h1-4,11-13,19H,5-10,14-15H2/t19-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50088756
PNG
(CHEMBL427996 | Cyclopentadienyltricarbonylrheniumb...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2C(C1)c1cccc(c1)C(=O)C1=CC=C[C@@H]1[Re](C=O)(C=O)C=O
Show InChI InChI=1S/C23H21ClNO2.3CHO.Re/c1-25-10-9-17-12-21(24)22(26)13-19(17)20(14-25)16-7-4-8-18(11-16)23(27)15-5-2-3-6-15;3*1-2;/h2-8,11-13,20,26H,9-10,14H2,1H3;3*1H;
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>1.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain


Bioorg Med Chem Lett 10: 1113-5 (2000)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/s2
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1.00E+4n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM35920
PNG
(9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...)
Show SMILES NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells


Bioorg Med Chem Lett 11: 655-8 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C (5HT2C)


(Mus musculus (Mouse))
BDBM85098
PNG
(N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-y...)
Show SMILES COc1cc(OC)c(cc1N[S](=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM186930
PNG
(US9079895, 20s | US9079895, 21s)
Show SMILES O=C(CN1CCO[C@H](COc2cccnc2)C1)N1CCc2ccccc12
Show InChI InChI=1/C20H23N3O3/c24-20(23-9-7-16-4-1-2-6-19(16)23)14-22-10-11-25-18(13-22)15-26-17-5-3-8-21-12-17/h1-6,8,12,18H,7,9-11,13-15H2/t18-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054716
PNG
(1H-Indazole-3-carboxylic acid [4-(4-benzo[d]isothi...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1[nH]nc2ccccc12
Show InChI InChI=1S/C23H26N6OS/c30-23(21-17-7-1-3-9-19(17)25-26-21)24-11-5-6-12-28-13-15-29(16-14-28)22-18-8-2-4-10-20(18)31-27-22/h1-4,7-10H,5-6,11-16H2,(H,24,30)(H,25,26)
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n/an/a 2.20n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054711
PNG
(4-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ccncc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-18-7-9-23-15-17(18)21(28)24-8-3-4-10-26-11-13-27(14-12-26)20-16-5-1-2-6-19(16)29-25-20/h1-2,5-7,9,15H,3-4,8,10-14H2,(H2,22,23)(H,24,28)
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n/an/a 4.70n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054702
PNG
(3-Amino-benzo[b]thiophene-2-carboxylic acid [4-(4-...)
Show SMILES Nc1c(sc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H27N5OS2/c25-21-17-7-1-3-9-19(17)31-22(21)24(30)26-11-5-6-12-28-13-15-29(16-14-28)23-18-8-2-4-10-20(18)32-27-23/h1-4,7-10H,5-6,11-16,25H2,(H,26,30)
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n/an/a 5.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054715
PNG
(4-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1cscc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-17-14-27-13-16(17)20(26)22-7-3-4-8-24-9-11-25(12-10-24)19-15-5-1-2-6-18(15)28-23-19/h1-2,5-6,13-14H,3-4,7-12,21H2,(H,22,26)
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n/an/a 6n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50002213
PNG
(1-(4-Fluoro-phenyl)-2-{1-[2-(1H-indol-3-yl)-ethyl]...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C23H25FN2O/c24-20-7-5-18(6-8-20)23(27)15-17-9-12-26(13-10-17)14-11-19-16-25-22-4-2-1-3-21(19)22/h1-8,16-17,25H,9-15H2
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n/an/a 7n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054712
PNG
(3H-Benzoimidazole-4-carboxylic acid [4-(4-benzo[d]...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2nc[nH]c12
Show InChI InChI=1S/C23H26N6OS/c30-23(18-7-5-8-19-21(18)26-16-25-19)24-10-3-4-11-28-12-14-29(15-13-28)22-17-6-1-2-9-20(17)31-27-22/h1-2,5-9,16H,3-4,10-15H2,(H,24,30)(H,25,26)
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n/an/a 7.60n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054705
PNG
(2-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1ncccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-19-17(7-5-10-23-19)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15H2,(H2,22,23)(H,24,28)
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n/an/a 7.80n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054718
PNG
(3-Amino-thiophene-2-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1ccsc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-16-7-14-27-18(16)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)
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n/an/a 9.60n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50002288
PNG
(1-(4-Fluoro-phenyl)-2-{1-[2-(4-trifluoromethyl-phe...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CCc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C22H23F4NO/c23-20-7-3-18(4-8-20)21(28)15-17-10-13-27(14-11-17)12-9-16-1-5-19(6-2-16)22(24,25)26/h1-8,17H,9-15H2
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n/an/a 10n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054713
PNG
(2-Amino-thiophene-3-carboxylic acid [4-(4-benzo[d]...)
Show SMILES Nc1sccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H25N5OS2/c21-18-16(7-14-27-18)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)
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n/an/a 11n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054703
PNG
(CHEMBL358268 | Quinoline-8-carboxylic acid [4-(4-b...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cccnc12
Show InChI InChI=1S/C25H27N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5-11,13H,3-4,12,14-18H2,(H,27,31)
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n/an/a 14n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054708
PNG
(1H-Indole-3-carboxylic acid [4-(4-benzo[d]isothiaz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H27N5OS/c30-24(20-17-26-21-9-3-1-7-18(20)21)25-11-5-6-12-28-13-15-29(16-14-28)23-19-8-2-4-10-22(19)31-27-23/h1-4,7-10,17,26H,5-6,11-16H2,(H,25,30)
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n/an/a 14n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50002242
PNG
(2-{1-[2-(4-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H23ClFNO/c22-19-5-1-16(2-6-19)9-12-24-13-10-17(11-14-24)15-21(25)18-3-7-20(23)8-4-18/h1-8,17H,9-15H2
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n/an/a 14n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)

More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054717
PNG
(3-Amino-N-[4-(4-benzo[d]isothiazol-3-yl-piperazin-...)
Show SMILES Nc1cnccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-18-15-23-9-7-16(18)21(28)24-8-3-4-10-26-11-13-27(14-12-26)20-17-5-1-2-6-19(17)29-25-20/h1-2,5-7,9,15H,3-4,8,10-14,22H2,(H,24,28)
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n/an/a 16n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054714
PNG
(3-Amino-pyridine-2-carboxylic acid [4-(4-benzo[d]i...)
Show SMILES Nc1cccnc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N6OS/c22-17-7-5-10-23-19(17)21(28)24-9-3-4-11-26-12-14-27(15-13-26)20-16-6-1-2-8-18(16)29-25-20/h1-2,5-8,10H,3-4,9,11-15,22H2,(H,24,28)
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n/an/a 24n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054707
PNG
(CHEMBL344994 | Pyridine-2-carboxylic acid [4-(4-be...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccn1
Show InChI InChI=1S/C21H25N5OS/c27-21(18-8-3-4-10-22-18)23-11-5-6-12-25-13-15-26(16-14-25)20-17-7-1-2-9-19(17)28-24-20/h1-4,7-10H,5-6,11-16H2,(H,23,27)
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n/an/a 24n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054709
PNG
(CHEMBL141494 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccncc1
Show InChI InChI=1S/C21H25N5OS/c27-21(17-7-10-22-11-8-17)23-9-3-4-12-25-13-15-26(16-14-25)20-18-5-1-2-6-19(18)28-24-20/h1-2,5-8,10-11H,3-4,9,12-16H2,(H,23,27)
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n/an/a 25n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 from mice


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054710
PNG
(1,2,3,4-Tetrahydro-quinoline-8-carboxylic acid [4-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCCNc12
Show InChI InChI=1S/C25H31N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5,7,9-11,26H,3-4,6,8,12-18H2,(H,27,31)
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n/an/a 28n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054706
PNG
(1H-Indole-7-carboxylic acid [4-(4-benzo[d]isothiaz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cc[nH]c12
Show InChI InChI=1S/C24H27N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-10,12,25H,3-4,11,13-17H2,(H,26,30)
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n/an/a 28n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50054704
PNG
(2,3-Dihydro-1H-indole-7-carboxylic acid [4-(4-benz...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCNc12
Show InChI InChI=1S/C24H29N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-9,25H,3-4,10-17H2,(H,26,30)
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n/an/a 34n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
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