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Compile Data Set for Download or QSAR

Found 2069 hits Enz. Inhib. hit(s) with Target = 'drd1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
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))
BDBM37721
PNG
(2-(3-chlorophenyl)-4-N-methyltriazole-4,5-diamine ...)
Show SMILES CNc1nn(nc1N)-c1cccc(Cl)c1
Show InChI InChI=1S/C9H10ClN5/c1-12-9-8(11)13-15(14-9)7-4-2-3-6(10)5-7/h2-5H,1H3,(H2,11,13)(H,12,14)
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n/an/an/an/a 0.325n/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))
BDBM49056
PNG
(1-(cyclobutanecarbonyl)-N-(3-pyridylmethyl)indolin...)
Show SMILES O=C(C1CCC1)N1CCc2cc(ccc12)S(=O)(=O)NCc1cccnc1
Show InChI InChI=1S/C19H21N3O3S/c23-19(15-4-1-5-15)22-10-8-16-11-17(6-7-18(16)22)26(24,25)21-13-14-3-2-9-20-12-14/h2-3,6-7,9,11-12,15,21H,1,4-5,8,10,13H2
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n/an/an/an/a 0.0381n/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))
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48902
PNG
(2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-met...)
Show SMILES CCOc1ccc(cc1OCC)-c1nnn(CC(=O)NCc2ccc(OC)cc2)n1
Show InChI InChI=1S/C21H25N5O4/c1-4-29-18-11-8-16(12-19(18)30-5-2)21-23-25-26(24-21)14-20(27)22-13-15-6-9-17(28-3)10-7-15/h6-12H,4-5,13-14H2,1-3H3,(H,22,27)
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n/an/an/an/a 0.0300n/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))
BDBM48988
PNG
(8-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiomorpholin-...)
Show SMILES O=c1[nH]c2cc3OCCOc3cc2cc1C(N1CCSCC1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C22H26N6O3S/c29-22-16(11-14-12-18-19(13-17(14)23-22)31-8-7-30-18)20(27-5-9-32-10-6-27)21-24-25-26-28(21)15-3-1-2-4-15/h11-13,15,20H,1-10H2,(H,23,29)
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n/an/an/an/a 0.0238n/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))
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))
BDBM48908
PNG
(2-hydroxy-4-keto-1-propyl-N-(4-pyridylmethyl)quino...)
Show SMILES CCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C19H19N3O3/c1-2-11-22-15-6-4-3-5-14(15)17(23)16(19(22)25)18(24)21-12-13-7-9-20-10-8-13/h3-10,23H,2,11-12H2,1H3,(H,21,24)
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n/an/an/an/a 0.0166n/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))
BDBM48990
PNG
(Cyclopropanecarboxylic acid (6-butyrylamino-pyridi...)
Show SMILES CCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1
Show InChI InChI=1S/C13H17N3O2/c1-2-3-12(17)16-11-7-6-10(8-14-11)15-13(18)9-4-5-9/h6-9H,2-5H2,1H3,(H,15,18)(H,14,16,17)
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n/an/an/an/a 0.0000224n/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))
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))
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
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))
BDBM37529
PNG
(Furan-2-carboxylic acid (6,7,8,9-tetrahydro-5H-10-...)
Show SMILES O=C(Nc1ncnc2sc3CCCCCc3c12)c1ccco1
Show InChI InChI=1S/C16H15N3O2S/c20-15(11-6-4-8-21-11)19-14-13-10-5-2-1-3-7-12(10)22-16(13)18-9-17-14/h4,6,8-9H,1-3,5,7H2,(H,17,18,19,20)
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n/an/an/an/a 0.00652n/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))
BDBM41900
PNG
(3-[4-(1-adamantylcarbamoylamino)piperidino]sulfony...)
Show SMILES COC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H33N3O5S/c1-32-22(28)19-3-2-4-21(12-19)33(30,31)27-7-5-20(6-8-27)25-23(29)26-24-13-16-9-17(14-24)11-18(10-16)15-24/h2-4,12,16-18,20H,5-11,13-15H2,1H3,(H2,25,26,29)
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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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48912
PNG
(3-[(2-fluorophenyl)methyl]-5-propyl-N-(pyridin-4-y...)
Show SMILES CCCc1nc(NCc2ccncc2)c2nnn(Cc3ccccc3F)c2n1
Show InChI InChI=1S/C20H20FN7/c1-2-5-17-24-19(23-12-14-8-10-22-11-9-14)18-20(25-17)28(27-26-18)13-15-6-3-4-7-16(15)21/h3-4,6-11H,2,5,12-13H2,1H3,(H,23,24,25)
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n/an/an/an/a 0.00655n/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))
BDBM34217
PNG
(2-(6-Cyclopropyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES CC1CCCCN1C(=O)CSc1nc(nc2n(ncc12)-c1ccccc1)C1CC1
Show InChI InChI=1S/C22H25N5OS/c1-15-7-5-6-12-26(15)19(28)14-29-22-18-13-23-27(17-8-3-2-4-9-17)21(18)24-20(25-22)16-10-11-16/h2-4,8-9,13,15-16H,5-7,10-12,14H2,1H3
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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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48992
PNG
(1-(benzenesulfonyl)-4-[(2,4-dimethoxyphenyl)methyl...)
Show SMILES COc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C19H24N2O4S/c1-24-17-9-8-16(19(14-17)25-2)15-20-10-12-21(13-11-20)26(22,23)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
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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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48913
PNG
(MLS000068928 | N-(5-Methyl-isoxazol-3-yl)-2-phenox...)
Show SMILES Cc1cc(NC(=O)c2ccccc2Oc2ccccc2)no1
Show InChI InChI=1S/C17H14N2O3/c1-12-11-16(19-22-12)18-17(20)14-9-5-6-10-15(14)21-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,20)
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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
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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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))
BDBM3859
PNG
(1-Phenylbenzimidazole deriv. 76 | 6-methoxy-1-phen...)
Show SMILES COc1ccc2ncn(-c3ccccc3)c2c1
Show InChI InChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,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
D(1A) dopamine 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
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))
BDBM48915
PNG
(4-(4-Methylamino-6-methylsulfanyl-[1,3,5]triazin-2...)
Show SMILES CCOC(=O)c1ccc(Oc2nc(NC)nc(SC)n2)cc1
Show InChI InChI=1S/C14H16N4O3S/c1-4-20-11(19)9-5-7-10(8-6-9)21-13-16-12(15-2)17-14(18-13)22-3/h5-8H,4H2,1-3H3,(H,15,16,17,18)
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n/an/an/an/a 0.00918n/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))
BDBM48995
PNG
(MLS000075653 | N-Cyclopentyl-N-(3,4-dimethoxy-benz...)
Show SMILES COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(cc2)-n2cnnn2)cc1OC
Show InChI InChI=1S/C21H25N5O4S/c1-29-20-12-7-16(13-21(20)30-2)14-26(18-5-3-4-6-18)31(27,28)19-10-8-17(9-11-19)25-15-22-23-24-25/h7-13,15,18H,3-6,14H2,1-2H3
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n/an/an/an/a 0.00867n/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))
BDBM48996
PNG
(1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-[5-(4-...)
Show SMILES Fc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4CCc4ccccc34)o2)cc1
Show InChI InChI=1S/C25H20FN3O3S/c26-19-11-13-20(14-12-19)31-15-23-27-28-25(32-23)33-16-24(30)29-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)29/h1-8,11-14H,9-10,15-16H2
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n/an/an/an/a 0.0168n/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))
BDBM48997
PNG
(3-methyl-N-(3-pyridylmethyl)-4-(tetrazol-1-yl)-N-v...)
Show SMILES COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(c(C)c2)-n2cnnn2)cc1OC
Show InChI InChI=1S/C23H24N6O4S/c1-17-11-20(7-8-21(17)29-16-25-26-27-29)34(30,31)28(15-19-5-4-10-24-13-19)14-18-6-9-22(32-2)23(12-18)33-3/h4-13,16H,14-15H2,1-3H3
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n/an/an/an/a 0.00952n/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))
BDBM48998
PNG
(6-Amino-4-(5-methyl-thiophen-2-yl)-3-thiophen-2-yl...)
Show SMILES Cc1ccc(s1)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
Show InChI InChI=1S/C16H12N4OS2/c1-8-4-5-10(23-8)12-9(7-17)15(18)21-16-13(12)14(19-20-16)11-3-2-6-22-11/h2-6,9,12,18H,1H3,(H,19,20)
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n/an/an/an/a 0.00653n/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))
BDBM48999
PNG
(2-[3-(2-Chloro-benzyl)-5-cyclopropyl-3H-[1,2,3]tri...)
Show SMILES OCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)C1CC1
Show InChI InChI=1S/C16H17ClN6O/c17-12-4-2-1-3-11(12)9-23-16-13(21-22-23)15(18-7-8-24)19-14(20-16)10-5-6-10/h1-4,10,24H,5-9H2,(H,18,19,20)
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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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49000
PNG
(4-Cyano-3-methyl-5-(2-thiophen-2-yl-acetylamino)-t...)
Show SMILES CCN(CC)C(=O)c1sc(NC(=O)Cc2cccs2)c(C#N)c1C
Show InChI InChI=1S/C17H19N3O2S2/c1-4-20(5-2)17(22)15-11(3)13(10-18)16(24-15)19-14(21)9-12-7-6-8-23-12/h6-8H,4-5,9H2,1-3H3,(H,19,21)
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n/an/an/an/a 0.00669n/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))
BDBM48917
PNG
(1-phenyl-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-y...)
Show SMILES O=C(CSc1nnnn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14N4OS/c21-15(14-9-5-2-6-10-14)12-22-16-17-18-19-20(16)11-13-7-3-1-4-8-13/h1-10H,11-12H2
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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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48918
PNG
(2-acetoxypropyl(trimethyl)ammonium;chloride | 2-ac...)
Show SMILES CC(C[N+](C)(C)C)OC(C)=O
Show InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
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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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49001
PNG
(5-acetyl-2-methyl-6-(methylamino)-4-phenyl-3-pyrid...)
Show SMILES CNc1nc(C)c(C#N)c(-c2ccccc2)c1C(C)=O
Show InChI InChI=1S/C16H15N3O/c1-10-13(9-17)15(12-7-5-4-6-8-12)14(11(2)20)16(18-3)19-10/h4-8H,1-3H3,(H,18,19)
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n/an/an/an/a 0.00233n/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))
BDBM48919
PNG
(2,6-bis(azanyl)-4-(4-ethoxy-3-methoxy-phenyl)-4H-t...)
Show SMILES CCOc1ccc(cc1OC)C1C(C#N)C(=N)SC(=N)C1C#N
Show InChI InChI=1S/C16H16N4O2S/c1-3-22-12-5-4-9(6-13(12)21-2)14-10(7-17)15(19)23-16(20)11(14)8-18/h4-6,10-11,14,19-20H,3H2,1-2H3
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n/an/an/an/a 0.0231n/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))
BDBM49003
PNG
(4-hydroxy-3-(4-morpholinylmethyl)-2-benzofurancarb...)
Show SMILES CCOC(=O)c1oc2cccc(O)c2c1CN1CCOCC1
Show InChI InChI=1S/C16H19NO5/c1-2-21-16(19)15-11(10-17-6-8-20-9-7-17)14-12(18)4-3-5-13(14)22-15/h3-5,18H,2,6-10H2,1H3
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n/an/an/an/a 10.8n/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))
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
D(1A) dopamine 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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM49004
PNG
(MLS000030506 | SMR000037635 | cid_659420)
Show SMILES COc1ccccc1-n1c2nnc(SCC=C)n2c2sc3CCCc3c2c1=O
Show InChI InChI=1S/C20H18N4O2S2/c1-3-11-27-20-22-21-19-23(13-8-4-5-9-14(13)26-2)17(25)16-12-7-6-10-15(12)28-18(16)24(19)20/h3-5,8-9H,1,6-7,10-11H2,2H3
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n/an/an/an/a 0.0182n/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))
BDBM30734
PNG
(6-chloranyl-2-(4-methylpiperazin-1-yl)-4-phenyl-qu...)
Show SMILES CN1CCN(CC1)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H19ClN4/c1-23-9-11-24(12-10-23)19-21-17-8-7-15(20)13-16(17)18(22-19)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
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n/an/an/an/a 0.00913n/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))
BDBM42625
PNG
(4-(phenylcarbonyl)-N-pyridin-2-yl-1H-imidazole-5-c...)
Show SMILES O=C(Nc1ccccn1)c1nc[nH]c1C(=O)c1ccccc1
Show InChI InChI=1S/C16H12N4O2/c21-15(11-6-2-1-3-7-11)13-14(19-10-18-13)16(22)20-12-8-4-5-9-17-12/h1-10H,(H,18,19)(H,17,20,22)
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n/an/an/an/a 0.00411n/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))
BDBM48921
PNG
(4-butoxy-6-methyl-N-(phenylmethyl)-2-pyrimidinamin...)
Show SMILES CCCCOc1cc(C)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C16H21N3O/c1-3-4-10-20-15-11-13(2)18-16(19-15)17-12-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,17,18,19)
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n/an/an/an/a 0.114n/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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