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PubChem AID 858

Compile Data Set for Download or QSAR

Found 226 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48903
PNG
(2-(6-indolo[3,2-b]quinoxalinyl)acetic acid ethyl e...)
Show SMILES CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc12
Show InChI InChI=1S/C18H15N3O2/c1-2-23-16(22)11-21-15-10-6-3-7-12(15)17-18(21)20-14-9-5-4-8-13(14)19-17/h3-10H,2,11H2,1H3
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n/an/an/an/a 0.00538n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48907
PNG
(3-Ethyl-6-phenyl-1,5,6,7-tetrahydro-indazol-4-one ...)
Show SMILES CCc1n[nH]c2CC(CC(N=O)c12)c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-2-12-15-13(17-16-12)8-11(9-14(15)18-19)10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,16,17)
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n/an/an/an/a 0.0724n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM40336
PNG
(6-Amino-4-isopropyl-3-thiophen-2-yl-2,4-dihydro-py...)
Show SMILES CC(C)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
Show InChI InChI=1S/C14H14N4OS/c1-7(2)10-8(6-15)13(16)19-14-11(10)12(17-18-14)9-4-3-5-20-9/h3-5,7-8,10,16H,1-2H3,(H,17,18)
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n/an/an/an/a 0.00344n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48914
PNG
((E)-3-(1-cyclohex-3-enyl)-2-(1-methyl-2-benzimidaz...)
Show SMILES Cn1c(nc2ccccc12)C(=C\C1CCC=CC1)\C#N
Show InChI InChI=1S/C17H17N3/c1-20-16-10-6-5-9-15(16)19-17(20)14(12-18)11-13-7-3-2-4-8-13/h2-3,5-6,9-11,13H,4,7-8H2,1H3/b14-11+
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n/an/an/an/a 0.0152n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM37640
PNG
(MLS000079917 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
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n/an/an/an/a 0.0133n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49009
PNG
((5E)-1-butyl-5-[1-[(4-fluorobenzyl)amino]ethyliden...)
Show SMILES CCCCN1C(=O)NC(=O)C(=C(C)NCc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C17H20FN3O3/c1-3-4-9-21-16(23)14(15(22)20-17(21)24)11(2)19-10-12-5-7-13(18)8-6-12/h5-8,19H,3-4,9-10H2,1-2H3,(H,20,22,24)
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n/an/an/an/a 0.00728n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49014
PNG
(2-(benzylthio)-6-(2-furyl)nicotinonitrile | 2-benz...)
Show SMILES N#Cc1ccc(nc1SCc1ccccc1)-c1ccco1
Show InChI InChI=1S/C17H12N2OS/c18-11-14-8-9-15(16-7-4-10-20-16)19-17(14)21-12-13-5-2-1-3-6-13/h1-10H,12H2
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n/an/an/an/a 0.0171n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49025
PNG
(2-(2-hydroxyethyl)-4-phenyl-[1,2,4]triazin[5,6-b]i...)
Show SMILES OCCn1nc2c(nc3ccccc23)n(-c2ccccc2)c1=S
Show InChI InChI=1S/C17H14N4OS/c22-11-10-20-17(23)21(12-6-2-1-3-7-12)16-15(19-20)13-8-4-5-9-14(13)18-16/h1-9,22H,10-11H2
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n/an/an/an/a 0.110n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49027
PNG
(3-methyl-5-[[1-oxo-2-(1,3,4-thiadiazol-2-ylthio)et...)
Show SMILES CCOC(=O)c1sc(NC(=O)CSc2nncs2)c(C(=O)OCC)c1C
Show InChI InChI=1S/C15H17N3O5S3/c1-4-22-13(20)10-8(3)11(14(21)23-5-2)26-12(10)17-9(19)6-24-15-18-16-7-25-15/h7H,4-6H2,1-3H3,(H,17,19)
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n/an/an/an/a 0.00223n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49028
PNG
((2-methyl-2H-quinolin-1-yl)-phenyl-methanone | (2-...)
Show SMILES CC1C=Cc2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C17H15NO/c1-13-11-12-14-7-5-6-10-16(14)18(13)17(19)15-8-3-2-4-9-15/h2-13H,1H3
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n/an/an/an/a 0.00824n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49037
PNG
(4-amino-2,6-diphenyl-5-pyrimidinecarbonitrile | 4-...)
Show SMILES Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(21-16(14)19)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21)
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n/an/an/an/a 0.00117n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49038
PNG
(MLS000057474 | N-(2-furanylmethyl)-4-oxo-3-phenyl-...)
Show SMILES O=C(NCc1ccco1)c1nn(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O3/c24-19(21-13-15-9-6-12-26-15)18-16-10-4-5-11-17(16)20(25)23(22-18)14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24)
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n/an/an/an/a 0.0567n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49042
PNG
(5-(ethylthio)-4-(4-fluorophenyl)sulfonyl-2-(2-fura...)
Show SMILES CCSc1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1ccco1
Show InChI InChI=1S/C15H12FNO4S2/c1-2-22-15-14(17-13(21-15)12-4-3-9-20-12)23(18,19)11-7-5-10(16)6-8-11/h3-9H,2H2,1H3
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n/an/an/an/a 0.0158n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49043
PNG
(6-(3,5-dimethyl-1-piperidinyl)-3-(4-methylphenyl)-...)
Show SMILES CC1CC(C)CN(C1)c1cc(=O)n(-c2ccc(C)cc2)c(=O)[nH]1
Show InChI InChI=1S/C18H23N3O2/c1-12-4-6-15(7-5-12)21-17(22)9-16(19-18(21)23)20-10-13(2)8-14(3)11-20/h4-7,9,13-14H,8,10-11H2,1-3H3,(H,19,23)
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n/an/an/an/a 0.0111n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM37566
PNG
(3-(1-ethyl-5-methyl-4-pyrazolyl)-N-(phenylmethyl)-...)
Show SMILES CCn1ncc(C2=NOC(C2)C(=O)NCc2ccccc2)c1C
Show InChI InChI=1S/C17H20N4O2/c1-3-21-12(2)14(11-19-21)15-9-16(23-20-15)17(22)18-10-13-7-5-4-6-8-13/h4-8,11,16H,3,9-10H2,1-2H3,(H,18,22)
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n/an/an/an/a 0.0992n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48950
PNG
(1-butyl-5-keto-2-nicotinoylimino-dipyrido[1,2-d:3'...)
Show SMILES CCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)\c1=N/C(=O)c1cccnc1
Show InChI InChI=1S/C24H23N5O4/c1-3-5-12-29-20-17(23(31)28-13-7-6-10-19(28)26-20)14-18(24(32)33-4-2)21(29)27-22(30)16-9-8-11-25-15-16/h6-11,13-15H,3-5,12H2,1-2H3/b27-21+
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n/an/an/an/a 0.00202n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48953
PNG
(4-[4-chloro-3-(phenylsulfamoyl)benzoyl]piperazine-...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C20H22ClN3O5S/c1-2-29-20(26)24-12-10-23(11-13-24)19(25)15-8-9-17(21)18(14-15)30(27,28)22-16-6-4-3-5-7-16/h3-9,14,22H,2,10-13H2,1H3
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n/an/an/an/a 0.00778n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49076
PNG
(2-(carbethoxyamino)-5-(diethylcarbamoyl)-4-methyl-...)
Show SMILES CCOC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC
Show InChI InChI=1S/C16H24N2O5S/c1-6-18(7-2)14(19)12-10(5)11(15(20)22-8-3)13(24-12)17-16(21)23-9-4/h6-9H2,1-5H3,(H,17,21)
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n/an/an/an/a 0.0134n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49084
PNG
(9-(2-phenoxyethyl)-6-purinamine | 9-(2-phenoxyethy...)
Show SMILES Nc1ncnc2n(CCOc3ccccc3)cnc12
Show InChI InChI=1S/C13H13N5O/c14-12-11-13(16-8-15-12)18(9-17-11)6-7-19-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,14,15,16)
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n/an/an/an/a 0.0315n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49089
PNG
(2-(2-furoylimino)-5-keto-1-propyl-dipyrido[1,2-d:3...)
Show SMILES CCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)\c1=N/C(=O)c1ccco1
Show InChI InChI=1S/C22H20N4O5/c1-3-10-26-18-14(21(28)25-11-6-5-9-17(25)23-18)13-15(22(29)30-4-2)19(26)24-20(27)16-8-7-12-31-16/h5-9,11-13H,3-4,10H2,1-2H3/b24-19+
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n/an/an/an/a 0.0613n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49090
PNG
(2-[(3-fluorobenzyl)thio]-3-(2-furfuryl)quinazolin-...)
Show SMILES Fc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1
Show InChI InChI=1S/C20H15FN2O2S/c21-15-6-3-5-14(11-15)13-26-20-22-18-9-2-1-8-17(18)19(24)23(20)12-16-7-4-10-25-16/h1-11H,12-13H2
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48971
PNG
(2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxidanyli...)
Show SMILES CC(C)COC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C18H21NO4/c1-10(2)9-23-18(21)17-11(3)16-13(19-17)7-12(8-14(16)20)15-5-4-6-22-15/h4-6,10,12,19H,7-9H2,1-3H3
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n/an/an/an/a 0.00157n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49096
PNG
(6-(cyclohexylamino)-8-(2-furanyl)-3,3-dimethyl-1,4...)
Show SMILES CC1(C)Cc2c(CO1)c(nc(NC1CCCCC1)c2C#N)-c1ccco1
Show InChI InChI=1S/C21H25N3O2/c1-21(2)11-15-16(12-22)20(23-14-7-4-3-5-8-14)24-19(17(15)13-26-21)18-9-6-10-25-18/h6,9-10,14H,3-5,7-8,11,13H2,1-2H3,(H,23,24)
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n/an/an/an/a 0.00260n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48979
PNG
((3,4,5-triacetyloxy-6-phenyl-oxan-2-yl)methyl etha...)
Show SMILES CC(=O)OCC1OC(C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)c1ccccc1
Show InChI InChI=1S/C20H24O9/c1-11(21)25-10-16-18(26-12(2)22)20(28-14(4)24)19(27-13(3)23)17(29-16)15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3
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n/an/an/an/a 0.0176n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM42869
PNG
(2-[1-(3-pyridinylmethylamino)ethylidene]indene-1,3...)
Show SMILES CC(NCc1cccnc1)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H14N2O2/c1-11(19-10-12-5-4-8-18-9-12)15-16(20)13-6-2-3-7-14(13)17(15)21/h2-9,19H,10H2,1H3
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n/an/an/an/a 0.00853n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM34543
PNG
(6-methyl-2-[(1-oxo-2-thiophen-2-ylethyl)amino]-4,5...)
Show SMILES COC(=O)c1c(NC(=O)Cc2cccs2)sc2CC(C)CCc12
Show InChI InChI=1S/C17H19NO3S2/c1-10-5-6-12-13(8-10)23-16(15(12)17(20)21-2)18-14(19)9-11-4-3-7-22-11/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,18,19)
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n/an/an/an/a 0.0139n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48985
PNG
(2,5-bis(methylthio)-3-thiophenecarboxaldehyde oxim...)
Show SMILES CSc1cc(CN=O)c(SC)s1
Show InChI InChI=1S/C7H9NOS3/c1-10-6-3-5(4-8-9)7(11-2)12-6/h3H,4H2,1-2H3
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n/an/an/an/a 0.00798n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48991
PNG
(4-N-tert-butyl-2-N,6-N-diethyl-2-N-(1,2,4-triazol-...)
Show SMILES CCNc1nc(NC(C)(C)C)nc(n1)N(CC)n1cnnc1
Show InChI InChI=1S/C13H23N9/c1-6-14-10-17-11(20-13(3,4)5)19-12(18-10)22(7-2)21-8-15-16-9-21/h8-9H,6-7H2,1-5H3,(H2,14,17,18,19,20)
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n/an/an/an/a 0.0134n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48994
PNG
(3-Ethyl-2-[(Z)-ethylimino]-4-oxo-[1,3]thiazinane-6...)
Show SMILES CC\N=C1/SC(CC(=O)N1CC)C(N)=O
Show InChI InChI=1S/C9H15N3O2S/c1-3-11-9-12(4-2)7(13)5-6(15-9)8(10)14/h6H,3-5H2,1-2H3,(H2,10,14)/b11-9-
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n/an/an/an/a 0.0410n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM32031
PNG
(2-[(2,5-dimethoxybenzylidene)amino]-4,5-bis(2-fury...)
Show SMILES COc1ccc(OC)c(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1
Show InChI InChI=1S/C22H16N2O5/c1-25-15-7-8-17(26-2)14(11-15)13-24-22-16(12-23)20(18-5-3-9-27-18)21(29-22)19-6-4-10-28-19/h3-11,13H,1-2H3
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n/an/an/an/a 0.00197n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48922
PNG
(3-[(6,6-dimethyl-2-methylsulfanyl-1,4,5,8-tetrahyd...)
Show SMILES CSC1=Nc2sc3COC(C)(C)Cc3c2C(NCCCO)N1
Show InChI InChI=1S/C15H23N3O2S2/c1-15(2)7-9-10(8-20-15)22-13-11(9)12(16-5-4-6-19)17-14(18-13)21-3/h12,16,19H,4-8H2,1-3H3,(H,17,18)
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n/an/an/an/a 0.00522n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48924
PNG
(6-phenyl-3-(3-pyridinyl)-7H-[1,2,4]triazolo[3,4-b]...)
Show SMILES C1Sc2nnc(-c3cccnc3)n2N=C1c1ccccc1
Show InChI InChI=1S/C15H11N5S/c1-2-5-11(6-3-1)13-10-21-15-18-17-14(20(15)19-13)12-7-4-8-16-9-12/h1-9H,10H2
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n/an/an/an/a 0.0195n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49012
PNG
(MLS000082581 | SMR000044573 | cid_663742)
Show SMILES CCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
Show InChI InChI=1S/C22H22N4O2S2/c1-2-5-16-14-7-3-8-15(14)18-19-20(30-21(18)26-16)22(25-12-24-19)29-11-17(27)23-10-13-6-4-9-28-13/h4,6,9,12H,2-3,5,7-8,10-11H2,1H3,(H,23,27)
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n/an/an/an/a 0.0948n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM41308
PNG
(5-acetyl-6-hydroxy-1-methyl-3-phenyl-2-sulfanylide...)
Show SMILES CC(=O)c1c(O)n(-c2ccccc2)c(=S)n(C)c1=O
Show InChI InChI=1S/C13H12N2O3S/c1-8(16)10-11(17)14(2)13(19)15(12(10)18)9-6-4-3-5-7-9/h3-7,18H,1-2H3
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n/an/an/an/a 0.0135n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM40821
PNG
(1-methyl-3-phenyl-8-(tetrahydrofurfurylamino)-7H-p...)
Show SMILES Cn1c(=O)n(-c2ccccc2)c2nc(NCC3CCCO3)[nH]c2c1=O
Show InChI InChI=1S/C17H19N5O3/c1-21-15(23)13-14(22(17(21)24)11-6-3-2-4-7-11)20-16(19-13)18-10-12-8-5-9-25-12/h2-4,6-7,12H,5,8-10H2,1H3,(H2,18,19,20)
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n/an/an/an/a 0.0384n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49029
PNG
(6-(4-ethylphenyl)-3-(2-thienyl)-7H-[1,2,4]triazolo...)
Show SMILES CCc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccs1
Show InChI InChI=1S/C16H14N4S2/c1-2-11-5-7-12(8-6-11)13-10-22-16-18-17-15(20(16)19-13)14-4-3-9-21-14/h3-9H,2,10H2,1H3
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n/an/an/an/a 0.00700n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50247212
PNG
(CHEMBL516029 | cid_2999799 | ethyl 1-(3-(1-cyano-2...)
Show SMILES CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC(C1)C(=O)OCC
Show InChI InChI=1S/C21H24N4O4/c1-3-28-20(26)14-8-7-11-25(13-14)19-18(15(12-22)21(27)29-4-2)23-16-9-5-6-10-17(16)24-19/h5-6,9-10,14-15H,3-4,7-8,11,13H2,1-2H3
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n/an/an/an/a 0.0161n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49049
PNG
(2-isopropyl-8-keto-9-(m-tolyl)-7H-purine-6-carboxa...)
Show SMILES CC(C)c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
Show InChI InChI=1S/C16H17N5O2/c1-8(2)14-18-11(13(17)22)12-15(20-14)21(16(23)19-12)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H2,17,22)(H,19,23)
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n/an/an/an/a 0.0283n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49051
PNG
(1-[1-(3-chlorophenyl)-4-(2-furoyl)-1H-pyrazol-3-yl...)
Show SMILES CC(=O)c1nn(cc1C(=O)c1ccco1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H11ClN2O3/c1-10(20)15-13(16(21)14-6-3-7-22-14)9-19(18-15)12-5-2-4-11(17)8-12/h2-9H,1H3
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49054
PNG
(2-chloro-4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-ket...)
Show SMILES COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C19H17ClN2O3S/c1-25-19(24)15-9-16-14(10-17(20)26-16)22(15)11-18(23)21-8-4-6-12-5-2-3-7-13(12)21/h2-3,5,7,9-10H,4,6,8,11H2,1H3
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49057
PNG
(3-ethyl-2-(ethylthio)-6-methyl-6,7-dihydrothieno[3...)
Show SMILES CCSc1nc2CC(C)Sc2c(=O)n1CC
Show InChI InChI=1S/C11H16N2OS2/c1-4-13-10(14)9-8(6-7(3)16-9)12-11(13)15-5-2/h7H,4-6H2,1-3H3
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Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49059
PNG
(2-[(2-isopropyl-3-keto-2H-imidazo[1,2-c]quinazolin...)
Show SMILES CC(C)C1N=C2N(C1=O)C(SCC#N)=Nc1ccccc21
Show InChI InChI=1S/C15H14N4OS/c1-9(2)12-14(20)19-13(18-12)10-5-3-4-6-11(10)17-15(19)21-8-7-16/h3-6,9,12H,8H2,1-2H3
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n/an/an/an/a 0.00314n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49070
PNG
(1-(1,3-benzodioxol-5-yl)-5-[(2-fluorobenzyl)thio]-...)
Show SMILES Fc1ccccc1CSc1nnnn1-c1ccc2OCOc2c1
Show InChI InChI=1S/C15H11FN4O2S/c16-12-4-2-1-3-10(12)8-23-15-17-18-19-20(15)11-5-6-13-14(7-11)22-9-21-13/h1-7H,8-9H2
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n/an/an/an/a 0.00446n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49072
PNG
(1-amino-9-ethyl-9-methyl-5-phenyl-5,7,9,10-tetrahy...)
Show SMILES CCC1(C)Cc2c(CO1)c(=O)n(-c1ccccc1)c1ncnc(N)c21
Show InChI InChI=1S/C19H20N4O2/c1-3-19(2)9-13-14(10-25-19)18(24)23(12-7-5-4-6-8-12)17-15(13)16(20)21-11-22-17/h4-8,11H,3,9-10H2,1-2H3,(H2,20,21,22)
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n/an/an/an/a 0.0487n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50253797
PNG
(CHEMBL460366 | Ethyl 5-Amino-3-(4-methoxyphenyl)-4...)
Show SMILES CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12
Show InChI InChI=1S/C16H15N3O4S/c1-3-23-16(21)13-11-8-24-14(17)12(11)15(20)19(18-13)9-4-6-10(22-2)7-5-9/h4-8H,3,17H2,1-2H3
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n/an/an/an/a 0.0145n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49081
PNG
(MLS000099586 | N-butyl-3,4-bis(chloranyl)-N-ethyl-...)
Show SMILES CCCCN(CC)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-3-5-8-16(4-2)13(17)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8H2,1-2H3
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n/an/an/an/a 0.0263n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49085
PNG
((phenylmethyl) 1-ethyl-7-methyl-4-oxidanylidene-1,...)
Show SMILES CCn1cc(C(=O)OCc2ccccc2)c(=O)c2ccc(C)nc12
Show InChI InChI=1S/C19H18N2O3/c1-3-21-11-16(17(22)15-10-9-13(2)20-18(15)21)19(23)24-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
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n/an/an/an/a 0.0249n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49086
PNG
(2-[[2-(2-methyl-4-pyrrolidinosulfonyl-phenoxy)acet...)
Show SMILES COC(=O)c1ccccc1NC(=O)COc1ccc(cc1C)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H24N2O6S/c1-15-13-16(30(26,27)23-11-5-6-12-23)9-10-19(15)29-14-20(24)22-18-8-4-3-7-17(18)21(25)28-2/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,22,24)
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n/an/an/an/a 0.00714n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM48963
PNG
(5-chloranyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)su...)
Show SMILES CCSc1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C18H18ClN5O4S2/c1-4-29-18-20-9-14(19)15(22-18)16(25)21-12-5-7-13(8-6-12)30(26,27)24-17-10(2)11(3)23-28-17/h5-9,24H,4H2,1-3H3,(H,21,25)
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n/an/an/an/a 0.0942n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM49091
PNG
(2-[[2-[[4-allyl-5-(2-amino-4-methyl-thiazol-5-yl)-...)
Show SMILES CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2sc(N)nc2C)n1CC=C
Show InChI InChI=1S/C20H24N6O3S3/c1-6-8-26-16(15-11(4)22-19(21)32-15)24-25-20(26)30-9-13(27)23-17-14(18(28)29-7-2)10(3)12(5)31-17/h6H,1,7-9H2,2-5H3,(H2,21,22)(H,23,27)
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n/an/an/an/a 0.0285n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%