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Compile Data Set for Download or QSAR

Found 160 hits of ic50 for UniProtKB: P61168   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine 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


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002283
PNG
(2-(1-Benzyl-piperidin-3-yl)-1-(4-fluoro-phenyl)-et...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C20H22FNO/c21-19-10-8-18(9-11-19)20(23)13-17-7-4-12-22(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2
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n/an/a 34n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002220
PNG
(1-(4-Fluoro-phenyl)-2-(1-phenethyl-piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C21H24FNO/c22-20-8-6-19(7-9-20)21(24)16-18-11-14-23(15-12-18)13-10-17-4-2-1-3-5-17/h1-9,18H,10-16H2
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n/an/a 42n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50054719
PNG
(CHEMBL356498 | N-[4-(4-Benzo[d]isothiazol-3-yl-pip...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccnc1
Show InChI InChI=1S/C21H25N5OS/c27-21(17-6-5-9-22-16-17)23-10-3-4-11-25-12-14-26(15-13-25)20-18-7-1-2-8-19(18)28-24-20/h1-2,5-9,16H,3-4,10-15H2,(H,23,27)
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n/an/a 47n/an/an/an/an/an/a



Glaxo Wellcome Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse Dopamine receptor D2


J Med Chem 39: 4692-703 (1997)


Article DOI: 10.1021/jm9603375
BindingDB Entry DOI: 10.7270/Q2VT1R6T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002234
PNG
(1-(4-Fluoro-phenyl)-4-{4-[2-(4-fluoro-phenyl)-acet...)
Show SMILES Fc1ccc(CC(=O)C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C23H25F2NO2/c24-20-7-3-17(4-8-20)16-23(28)19-11-14-26(15-12-19)13-1-2-22(27)18-5-9-21(25)10-6-18/h3-10,19H,1-2,11-16H2
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n/an/a 55n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002198
PNG
(1-(4-Fluoro-phenyl)-2-{1-[2-(4-fluoro-phenyl)-ethy...)
Show SMILES Fc1ccc(CCN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1
Show InChI InChI=1S/C21H23F2NO/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 57n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280820
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES COc1nc2cccc3cccc(n1CCN1CCC(Cc4c[nH]c5ccc(F)cc45)CC1)c23
Show InChI InChI=1S/C28H29FN4O/c1-34-28-31-25-6-2-4-20-5-3-7-26(27(20)25)33(28)15-14-32-12-10-19(11-13-32)16-21-18-30-24-9-8-22(29)17-23(21)24/h2-9,17-19,30H,10-16H2,1H3
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280825
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Cn1c(=O)n(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2ccccc2c1=O
Show InChI InChI=1S/C25H27FN4O2/c1-28-24(31)20-4-2-3-5-23(20)30(25(28)32)13-12-29-10-8-17(9-11-29)14-18-16-27-22-7-6-19(26)15-21(18)22/h2-7,15-17,27H,8-14H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280831
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3)c2c1
Show InChI InChI=1S/C28H26FN3O2/c29-21-7-8-25-24(16-21)20(17-30-25)15-18-9-11-31(12-10-18)13-14-32-27(33)22-5-1-3-19-4-2-6-23(26(19)22)28(32)34/h1-8,16-18,30H,9-15H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280817
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Nc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H25FN4O3S/c24-18-5-6-20-19(14-18)17(15-25-20)13-16-7-9-27(10-8-16)11-12-28-23(29)26-21-3-1-2-4-22(21)32(28,30)31/h1-6,14-16,25H,7-13H2,(H,26,29)
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280815
PNG
(CHEMBL56377 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmethy...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H26FN3O2S/c23-19-6-7-22-21(15-19)18(16-24-22)14-17-8-11-26(12-9-17)13-10-25-29(27,28)20-4-2-1-3-5-20/h1-7,15-17,24-25H,8-14H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280829
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES OC1=CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C24H26FN3O3S/c25-19-5-6-22-21(14-19)18(15-26-22)13-17-7-9-27(10-8-17)11-12-28-16-23(29)20-3-1-2-4-24(20)32(28,30)31/h1-6,14-17,26,29H,7-13H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280818
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(NS4(=O)=O)c56)CC3)c2c1
Show InChI InChI=1S/C26H27FN4O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-30(12-10-18)13-14-31-25-6-2-4-19-3-1-5-24(26(19)25)29-34(31,32)33/h1-8,16-18,28-29H,9-15H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280826
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4Cc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H26FN3O2S/c24-20-5-6-22-21(14-20)19(15-25-22)13-17-7-9-26(10-8-17)11-12-27-16-18-3-1-2-4-23(18)30(27,28)29/h1-6,14-15,17,25H,7-13,16H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280827
PNG
(1'-{2-[4-(5-fluoro-1H-3-indolylmethyl)hexahydro-1-...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)C5(CC5)c5ccccc45)CC3)c2c1
Show InChI InChI=1S/C26H28FN3O/c27-20-5-6-23-21(16-20)19(17-28-23)15-18-7-11-29(12-8-18)13-14-30-24-4-2-1-3-22(24)26(9-10-26)25(30)31/h1-6,16-18,28H,7-15H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280824
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Cc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3O/c25-20-5-6-22-21(15-20)19(16-26-22)13-17-7-9-27(10-8-17)11-12-28-23-4-2-1-3-18(23)14-24(28)29/h1-6,15-17,26H,7-14H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280830
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1
Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280828
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C26H32FN3OSi/c1-32(2)18-30(26(31)22-5-3-4-6-25(22)32)14-13-29-11-9-19(10-12-29)15-20-17-28-24-8-7-21(27)16-23(20)24/h3-8,16-17,19,28H,9-15,18H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280822
PNG
(4-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)CSc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3OS/c25-19-5-6-21-20(14-19)18(15-26-21)13-17-7-9-27(10-8-17)11-12-28-22-3-1-2-4-23(22)30-16-24(28)29/h1-6,14-15,17,26H,7-13,16H2
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280832
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES CC1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C27H32FN3O/c1-27(2)18-31(26(32)22-5-3-4-6-24(22)27)14-13-30-11-9-19(10-12-30)15-20-17-29-25-8-7-21(28)16-23(20)25/h3-8,16-17,19,29H,9-15,18H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280823
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES CN1c2cccc3cccc(N(CCN4CCC(Cc5c[nH]c6ccc(F)cc56)CC4)S1(=O)=O)c23
Show InChI InChI=1S/C27H29FN4O2S/c1-30-25-6-2-4-20-5-3-7-26(27(20)25)32(35(30,33)34)15-14-31-12-10-19(11-13-31)16-21-18-29-24-9-8-22(28)17-23(21)24/h2-9,17-19,29H,10-16H2,1H3
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TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280821
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C25H32FN3O2SSi/c1-33(2)18-29(32(30,31)24-5-3-4-6-25(24)33)14-13-28-11-9-19(10-12-28)15-20-17-27-23-8-7-21(26)16-22(20)23/h3-8,16-17,19,27H,9-15,18H2,1-2H3
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280819
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6cccc([nH]c4=O)c56)CC3)c2c1
Show InChI InChI=1S/C27H27FN4O/c28-21-7-8-23-22(16-21)20(17-29-23)15-18-9-11-31(12-10-18)13-14-32-25-6-2-4-19-3-1-5-24(26(19)25)30-27(32)33/h1-8,16-18,29H,9-15H2,(H,30,33)
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50280816
PNG
(CHEMBL293729 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmeth...)
Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H28FN3O2S/c1-26(30(28,29)21-5-3-2-4-6-21)13-14-27-11-9-18(10-12-27)15-19-17-25-23-8-7-20(24)16-22(19)23/h2-8,16-18,25H,9-15H2,1H3
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified


Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002260
PNG
(1-Cyclopropylmethyl-4-(2,4-dichloro-phenoxymethyl)...)
Show SMILES Clc1ccc(OCC2CCN(CC3CC3)CC2)c(Cl)c1
Show InChI InChI=1S/C16H21Cl2NO/c17-14-3-4-16(15(18)9-14)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2
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n/an/a 111n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002290
PNG
(1-Benzyl-4-[2-(4-fluoro-phenoxy)-ethyl]-piperidine...)
Show SMILES Fc1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C20H24FNO/c21-19-6-8-20(9-7-19)23-15-12-17-10-13-22(14-11-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2
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n/an/a 114n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002209
PNG
(1-(2,2-Dichloro-1-methyl-cyclopropylmethyl)-4-(4-f...)
Show SMILES CC1(CN2CCC(COc3ccc(F)cc3)CC2)CC1(Cl)Cl
Show InChI InChI=1S/C17H22Cl2FNO/c1-16(11-17(16,18)19)12-21-8-6-13(7-9-21)10-22-15-4-2-14(20)3-5-15/h2-5,13H,6-12H2,1H3
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n/an/a 179n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002297
PNG
(2-(1-Cyclopropylmethyl-piperidin-3-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCCN(CC2CC2)C1
Show InChI InChI=1S/C17H22FNO/c18-16-7-5-15(6-8-16)17(20)10-14-2-1-9-19(12-14)11-13-3-4-13/h5-8,13-14H,1-4,9-12H2
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n/an/a 185n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002250
PNG
(1-(4-Fluoro-phenyl)-2-[1-(4-trifluoromethyl-benzyl...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C21H21F4NO/c22-19-7-3-17(4-8-19)20(27)13-15-9-11-26(12-10-15)14-16-1-5-18(6-2-16)21(23,24)25/h1-8,15H,9-14H2
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n/an/a 195n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002301
PNG
(4-(4-Fluoro-benzyloxymethyl)-1-naphthalen-1-ylmeth...)
Show SMILES Fc1ccc(COCC2CCN(Cc3cccc4ccccc34)CC2)cc1
Show InChI InChI=1S/C24H26FNO/c25-23-10-8-19(9-11-23)17-27-18-20-12-14-26(15-13-20)16-22-6-3-5-21-4-1-2-7-24(21)22/h1-11,20H,12-18H2
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n/an/a 219n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
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