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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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48989
PNG
(1-(3-Benzyl-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyri...)
Show SMILES Cc1nc(N2CCC(CC2)C(N)=O)c2nnn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C18H21N7O/c1-12-20-17(24-9-7-14(8-10-24)16(19)26)15-18(21-12)25(23-22-15)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H2,19,26)
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n/an/an/an/a 0.00976n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48909
PNG
(2-[5-(4-Fluoro-phenyl)-thiazolo[2,3-c][1,2,4]triaz...)
Show SMILES Fc1ccc(cc1)-c1csc2nnc(SCC(=O)NCc3ccco3)n12
Show InChI InChI=1S/C17H13FN4O2S2/c18-12-5-3-11(4-6-12)14-9-25-16-20-21-17(22(14)16)26-10-15(23)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H,19,23)
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n/an/an/an/a 0.0101n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM38278
PNG
(1-Benzyl-3-chloro-4-[(tetrahydro-furan-2-ylmethyl)...)
Show SMILES ClC1=C(NCC2CCCO2)C(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C16H17ClN2O3/c17-13-14(18-9-12-7-4-8-22-12)16(21)19(15(13)20)10-11-5-2-1-3-6-11/h1-3,5-6,12,18H,4,7-10H2
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n/an/an/an/a 0.0129n/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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM33037
PNG
(2-Amino-4-benzo[1,3]dioxol-5-yl-6-(5-methyl-furan-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc3OCOc3c2)c(C#N)c(N)n1
Show InChI InChI=1S/C18H13N3O3/c1-10-2-4-15(24-10)14-7-12(13(8-19)18(20)21-14)11-3-5-16-17(6-11)23-9-22-16/h2-7H,9H2,1H3,(H2,20,21)
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n/an/an/an/a 0.0206n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49002
PNG
(4,5-diphenyl-1H-imidazole | MLS000080782 | SMR0000...)
Show SMILES c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
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n/an/an/an/a 0.00370n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM34268
PNG
(MLS000082582 | SMR000045040 | cid_664182)
Show SMILES CC(C)c1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
Show InChI InChI=1S/C22H22N4O2S2/c1-12(2)18-15-7-3-6-14(15)17-19-20(30-21(17)26-18)22(25-11-24-19)29-10-16(27)23-9-13-5-4-8-28-13/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,23,27)
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n/an/an/an/a 0.0119n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM36983
PNG
((E)-3-amino-2-[2-[[5-[(4-chlorobenzyl)thio]-1,3,4-...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C15H13ClN4OS3/c1-9(18)12(6-17)13(21)8-23-15-20-19-14(24-15)22-7-10-2-4-11(16)5-3-10/h2-5,12,18H,7-8H2,1H3
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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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49033
PNG
(1-(5-bromanylpyridin-2-yl)-3-butyl-urea | 1-(5-bro...)
Show SMILES CCCCNC(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C10H14BrN3O/c1-2-3-6-12-10(15)14-9-5-4-8(11)7-13-9/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14,15)
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n/an/an/an/a 0.00243n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49036
PNG
(3-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyri...)
Show SMILES O=C1OCCC1Sc1ncnc2sc3CCCc3c12
Show InChI InChI=1S/C13H12N2O2S2/c16-13-9(4-5-17-13)19-12-10-7-2-1-3-8(7)18-11(10)14-6-15-12/h6,9H,1-5H2
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n/an/an/an/a 0.0104n/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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49050
PNG
(3,4-dimethoxy-N-[5-(2-thenyl)-1,3,4-thiadiazol-2-y...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1nnc(Cc2cccs2)s1
Show InChI InChI=1S/C16H15N3O3S2/c1-21-12-6-5-10(8-13(12)22-2)15(20)17-16-19-18-14(24-16)9-11-4-3-7-23-11/h3-8H,9H2,1-2H3,(H,17,19,20)
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n/an/an/an/a 0.000313n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49055
PNG
(1-(2-pyridinyl)-4-thiophen-2-ylsulfonylpiperazine ...)
Show SMILES O=S(=O)(N1CCN(CC1)c1ccccn1)c1cccs1
Show InChI InChI=1S/C13H15N3O2S2/c17-20(18,13-5-3-11-19-13)16-9-7-15(8-10-16)12-4-1-2-6-14-12/h1-6,11H,7-10H2
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n/an/an/an/a 0.0193n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48945
PNG
((2Z)-2-(7-hydroxy-6-methoxy-3,3-dimethyl-2,4-dihyd...)
Show SMILES CCOC(=O)CC1=NC(C)(C)Cc2cc(OC)c(O)cc12
Show InChI InChI=1S/C16H21NO4/c1-5-21-15(19)8-12-11-7-13(18)14(20-4)6-10(11)9-16(2,3)17-12/h6-7,18H,5,8-9H2,1-4H3
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n/an/an/an/a 0.0490n/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
D(1A) dopamine 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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49095
PNG
(2-amino-6-ethyl-5-methyl-4-(4-pyridyl)nicotinonitr...)
Show SMILES CCc1nc(N)c(C#N)c(c1C)-c1ccncc1
Show InChI InChI=1S/C14H14N4/c1-3-12-9(2)13(10-4-6-17-7-5-10)11(8-15)14(16)18-12/h4-7H,3H2,1-2H3,(H2,16,18)
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n/an/an/an/a 0.403n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49101
PNG
(7-(3-methylphenyl)-5-(4-methylphenyl)-1,5,6,7-tetr...)
Show SMILES Cc1ccc(cc1)C1CC(c2cccc(C)c2)n2nc(N)nc2N1
Show InChI InChI=1S/C19H21N5/c1-12-6-8-14(9-7-12)16-11-17(15-5-3-4-13(2)10-15)24-19(21-16)22-18(20)23-24/h3-10,16-17H,11H2,1-2H3,(H3,20,21,22,23)
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n/an/an/an/a 0.0147n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48976
PNG
(MLS000102793 | N-(3-thiazolo[5,4-b]pyridin-2-ylphe...)
Show SMILES O=S(=O)(Nc1cccc(c1)-c1nc2cccnc2s1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H15N3O4S2/c24-29(25,15-6-7-17-18(12-15)27-10-9-26-17)23-14-4-1-3-13(11-14)19-22-16-5-2-8-21-20(16)28-19/h1-8,11-12,23H,9-10H2
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n/an/an/an/a 0.288n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49114
PNG
(4-(2-pyridylcarbamoyl)-1H-imidazole-5-carboxylic a...)
Show SMILES CCOC(=O)c1nc[nH]c1C(=O)Nc1ccccn1
Show InChI InChI=1S/C12H12N4O3/c1-2-19-12(18)10-9(14-7-15-10)11(17)16-8-5-3-4-6-13-8/h3-7H,2H2,1H3,(H,14,15)(H,13,16,17)
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n/an/an/an/a 0.0271n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48987
PNG
(1,3-dimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-...)
Show SMILES CC(C)n1c(SCC(=O)N2CCCC2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H23N5O3S/c1-10(2)21-12-13(18(3)16(24)19(4)14(12)23)17-15(21)25-9-11(22)20-7-5-6-8-20/h10H,5-9H2,1-4H3
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n/an/an/an/a 0.0163n/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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM40793
PNG
(MLS000076142 | N-(5-chloranyl-2-morpholin-4-yl-phe...)
Show SMILES Clc1ccc(N2CCOCC2)c(NC(=O)c2cnccn2)c1
Show InChI InChI=1S/C15H15ClN4O2/c16-11-1-2-14(20-5-7-22-8-6-20)12(9-11)19-15(21)13-10-17-3-4-18-13/h1-4,9-10H,5-8H2,(H,19,21)
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n/an/an/an/a 0.00780n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM34210
PNG
(3-(3-Chloro-4-morpholin-4-yl-2,5-dioxo-2,5-dihydro...)
Show SMILES COC(=O)c1cccc(c1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O
Show InChI InChI=1S/C16H15ClN2O5/c1-23-16(22)10-3-2-4-11(9-10)19-14(20)12(17)13(15(19)21)18-5-7-24-8-6-18/h2-4,9H,5-8H2,1H3
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n/an/an/an/a 0.0236n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48911
PNG
(1-(5-Chloro-2-methoxy-phenyl)-2-(1-cyclopentyl-1H-...)
Show SMILES COc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCC1
Show InChI InChI=1S/C15H17ClN4O2S/c1-22-14-7-6-10(16)8-12(14)13(21)9-23-15-17-18-19-20(15)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
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n/an/an/an/a 0.0272n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48993
PNG
(2-[(4-benzofurazan-4-ylsulfonylpiperazino)methyl]-...)
Show SMILES Cc1sc2nc(CN3CCN(CC3)S(=O)(=O)c3cccc4nonc34)[nH]c(=O)c2c1C
Show InChI InChI=1S/C19H20N6O4S2/c1-11-12(2)30-19-16(11)18(26)20-15(21-19)10-24-6-8-25(9-7-24)31(27,28)14-5-3-4-13-17(14)23-29-22-13/h3-5H,6-10H2,1-2H3,(H,20,21,26)
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n/an/an/an/a 0.00680n/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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49006
PNG
(1-methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)py...)
Show SMILES COCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc12
Show InChI InChI=1S/C19H24N4O4/c1-12(11-26-3)27-19(24)15-16-18(23(17(15)20)9-6-10-25-2)22-14-8-5-4-7-13(14)21-16/h4-5,7-8,12H,6,9-11,20H2,1-3H3
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n/an/an/an/a 0.00352n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48923
PNG
(3-[[2-(3,5-dimethyl-1-pyrazolyl)-5-ethoxycarbonyl-...)
Show SMILES CCOC(=O)c1cnc(nc1Nc1cccc(c1)C(O)=O)-n1nc(C)cc1C
Show InChI InChI=1S/C19H19N5O4/c1-4-28-18(27)15-10-20-19(24-12(3)8-11(2)23-24)22-16(15)21-14-7-5-6-13(9-14)17(25)26/h5-10H,4H2,1-3H3,(H,25,26)(H,20,21,22)
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n/an/an/an/a 0.0616n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48925
PNG
(2-amino-4-(2-furanyl)-5-methyl-6-phenyl-3-pyridine...)
Show SMILES Cc1c(nc(N)c(C#N)c1-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O/c1-11-15(14-8-5-9-21-14)13(10-18)17(19)20-16(11)12-6-3-2-4-7-12/h2-9H,1H3,(H2,19,20)
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n/an/an/an/a 0.0160n/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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48927
PNG
(3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N...)
Show SMILES COc1ccc(cc1OC)-c1noc(CCC(=O)Nc2cccnc2)n1
Show InChI InChI=1S/C18H18N4O4/c1-24-14-6-5-12(10-15(14)25-2)18-21-17(26-22-18)8-7-16(23)20-13-4-3-9-19-11-13/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)
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n/an/an/an/a 0.00869n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48339
PNG
(3-(2-furanylmethyl)-2-propylthiochromeno[2,3-d]pyr...)
Show SMILES CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
Show InChI InChI=1S/C19H16N2O3S/c1-2-6-15-20-18-16(17(22)13-8-3-4-9-14(13)25-18)19(23)21(15)11-12-7-5-10-24-12/h3-5,7-10H,2,6,11H2,1H3
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n/an/an/an/a 0.0148n/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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49020
PNG
(3-cyclopentyl-6,7-dimethoxy-2-sulfanylidene-1H-qui...)
Show SMILES COc1cc2[nH]c(=S)n(C3CCCC3)c(=O)c2cc1OC
Show InChI InChI=1S/C15H18N2O3S/c1-19-12-7-10-11(8-13(12)20-2)16-15(21)17(14(10)18)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,16,21)
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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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49021
PNG
((1-benzylbenzimidazol-2-yl)-(2-furfuryl)amine | 1-...)
Show SMILES C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1
Show InChI InChI=1S/C19H17N3O/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)
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n/an/an/an/a 0.00350n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49022
PNG
(1,3-diphenyl-4-pyrazolecarbonitrile | 1,3-diphenyl...)
Show SMILES N#Cc1cn(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H11N3/c17-11-14-12-19(15-9-5-2-6-10-15)18-16(14)13-7-3-1-4-8-13/h1-10,12H
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n/an/an/an/a 0.00645n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49023
PNG
(1-ethyl-4-keto-7-methyl-1,8-naphthyridine-3-carbox...)
Show SMILES CCn1cc(C(=O)OCC(=O)OC2CC(C)CCC2C(C)C)c(=O)c2ccc(C)nc12
Show InChI InChI=1S/C24H32N2O5/c1-6-26-12-19(22(28)18-10-8-16(5)25-23(18)26)24(29)30-13-21(27)31-20-11-15(4)7-9-17(20)14(2)3/h8,10,12,14-15,17,20H,6-7,9,11,13H2,1-5H3
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n/an/an/an/a 0.0101n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48934
PNG
(4-(4-bromophenyl)-4,10-dihydro-[1,3,5]triazino[1,2...)
Show SMILES NC1=NC(c2ccc(Br)cc2)n2c(N1)nc1ccccc21
Show InChI InChI=1S/C15H12BrN5/c16-10-7-5-9(6-8-10)13-19-14(17)20-15-18-11-3-1-2-4-12(11)21(13)15/h1-8,13H,(H3,17,18,19,20)
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n/an/an/an/a 0.00480n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49034
PNG
(5-amino-1-(3-chlorophenyl)-4-pyrazolecarboxylic ac...)
Show SMILES CCOC(=O)c1cnn(c1N)-c1cccc(Cl)c1
Show InChI InChI=1S/C12H12ClN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3
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n/an/an/an/a 0.0290n/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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48941
PNG
(4-hydroxy-6-(4-isopropylphenyl)-2-piperidin-1-ylpy...)
Show SMILES CC(C)c1ccc(cc1)-c1nc([nH]c(=O)c1C#N)N1CCCCC1
Show InChI InChI=1S/C19H22N4O/c1-13(2)14-6-8-15(9-7-14)17-16(12-20)18(24)22-19(21-17)23-10-4-3-5-11-23/h6-9,13H,3-5,10-11H2,1-2H3,(H,21,22,24)
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n/an/an/an/a 0.00175n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49045
PNG
(3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancar...)
Show SMILES CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H19NO6S/c1-3-22-16(18)15-11(2)13-10-12(4-5-14(13)23-15)24(19,20)17-6-8-21-9-7-17/h4-5,10H,3,6-9H2,1-2H3
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n/an/an/an/a 0.0188n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50303409
PNG
(4-amino-6-(diphenylamino)-1,3,5-triazine-2-carboni...)
Show SMILES Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)C#N
Show InChI InChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21)
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n/an/an/an/a 0.00588n/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
D(1A) dopamine 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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n/an/an/an/a 0.0241n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM40513
PNG
(5-[[[1-(4-fluorophenyl)-4-keto-2H-pyrazolo[3,4-d]p...)
Show SMILES COC(=O)c1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)o1
Show InChI InChI=1S/C18H13FN4O4S/c1-26-17(25)14-7-6-12(27-14)9-28-18-21-15-13(16(24)22-18)8-20-23(15)11-4-2-10(19)3-5-11/h2-8H,9H2,1H3,(H,21,22,24)
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n/an/an/an/a 0.00249n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM40046
PNG
((4-methylbenzyl)-(tetrazolo[1,5-a]quinoxalin-4-yl)...)
Show SMILES Cc1ccc(CNc2nc3ccccc3n3nnnc23)cc1
Show InChI InChI=1S/C16H14N6/c1-11-6-8-12(9-7-11)10-17-15-16-19-20-21-22(16)14-5-3-2-4-13(14)18-15/h2-9H,10H2,1H3,(H,17,18)
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n/an/an/an/a 0.0362n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49066
PNG
(2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene...)
Show SMILES Nc1sc2CCCCCCc2c1C#N
Show InChI InChI=1S/C11H14N2S/c12-7-9-8-5-3-1-2-4-6-10(8)14-11(9)13/h1-6,13H2
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n/an/an/an/a 0.00695n/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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49069
PNG
(7-methoxy-8-methyl-4-(trifluoromethyl)-1-benzopyra...)
Show SMILES COc1ccc2c(cc(=O)oc2c1C)C(F)(F)F
Show InChI InChI=1S/C12H9F3O3/c1-6-9(17-2)4-3-7-8(12(13,14)15)5-10(16)18-11(6)7/h3-5H,1-2H3
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PCBioAssay
n/an/an/an/a 0.0194n/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%