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PubChem AID 857

Compile data set for download or QSAR
Found 100 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(1B) 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 0.00174n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00680n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM37376
PNG
(MLS000042779 | N-[1,3-benzothiazol-2-ylimino-(1-ox...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7]\[#6](-[#7]-[#6](=O)-[#6]-[#6])=[#7]\c1nc2ccccc2s1
Show InChI InChI=1S/C14H16N4O2S/c1-3-11(19)16-13(17-12(20)4-2)18-14-15-9-7-5-6-8-10(9)21-14/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18,19,20)
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n/an/an/an/a 0.00190n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48928
PNG
(2-N-(4-chlorophenyl)-6-[(4-pyridin-2-ylpiperazin-1...)
Show SMILES Nc1nc(CN2CCN(CC2)c2ccccn2)nc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H21ClN8/c20-14-4-6-15(7-5-14)23-19-25-16(24-18(21)26-19)13-27-9-11-28(12-10-27)17-3-1-2-8-22-17/h1-8H,9-13H2,(H3,21,23,24,25,26)
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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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48930
PNG
(3-(2-fluorobenzyl)-9-homoveratryl-1-methyl-7,8-dih...)
Show SMILES COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(Cc4ccccc4F)c(=O)c32)cc1OC
Show InChI InChI=1S/C26H28FN5O4/c1-29-23-22(24(33)32(26(29)34)16-18-7-4-5-8-19(18)27)31-13-6-12-30(25(31)28-23)14-11-17-9-10-20(35-2)21(15-17)36-3/h4-5,7-10,15H,6,11-14,16H2,1-3H3
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n/an/an/an/a 0.0235n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.0151n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48952
PNG
(1-[(3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-6-y...)
Show SMILES C(N1CCc2ccccc12)c1cn2c(nnc2s1)-c1ccccc1
Show InChI InChI=1S/C19H16N4S/c1-2-7-15(8-3-1)18-20-21-19-23(18)13-16(24-19)12-22-11-10-14-6-4-5-9-17(14)22/h1-9,13H,10-12H2
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n/an/an/an/a 0.00643n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48961
PNG
(2-(3-ethyl-2-ethylimino-4-keto-thiazolidin-5-yl)-N...)
Show SMILES CCOc1ccccc1NC(=O)CC1S\C(=N\CC)N(CC)C1=O
Show InChI InChI=1S/C17H23N3O3S/c1-4-18-17-20(5-2)16(22)14(24-17)11-15(21)19-12-9-7-8-10-13(12)23-6-3/h7-10,14H,4-6,11H2,1-3H3,(H,19,21)/b18-17+
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n/an/an/an/a 0.0122n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48974
PNG
(MLS000116693 | N-phenyl-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES N(c1ccccc1)c1nc2ccccc2n2cnnc12
Show InChI InChI=1S/C15H11N5/c1-2-6-11(7-3-1)17-14-15-19-16-10-20(15)13-9-5-4-8-12(13)18-14/h1-10H,(H,17,18)
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n/an/an/an/a 0.00545n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48906
PNG
(3,5-Bis-propylsulfanyl-isothiazole-4-carboxylic ac...)
Show SMILES CCCSc1nsc(SCCC)c1C(N)=O
Show InChI InChI=1S/C10H16N2OS3/c1-3-5-14-9-7(8(11)13)10(16-12-9)15-6-4-2/h3-6H2,1-2H3,(H2,11,13)
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n/an/an/an/a 0.00566n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.0136n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM36952
PNG
(3-(4-ethoxy-3-methoxy-phenyl)-5-(3-pyridyl)-1,2,4-...)
Show SMILES CCOc1ccc(cc1OC)-c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O3/c1-3-21-13-7-6-11(9-14(13)20-2)15-18-16(22-19-15)12-5-4-8-17-10-12/h4-10H,3H2,1-2H3
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n/an/an/an/a 0.00532n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48931
PNG
(3-[3-(3-ethoxy-4-methoxy-phenyl)-1,2,4-oxadiazol-5...)
Show SMILES CCOc1cc(ccc1OC)-c1noc(CCC(=O)N2CCOCC2)n1
Show InChI InChI=1S/C18H23N3O5/c1-3-25-15-12-13(4-5-14(15)23-2)18-19-16(26-20-18)6-7-17(22)21-8-10-24-11-9-21/h4-5,12H,3,6-11H2,1-2H3
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n/an/an/an/a 0.00945n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48932
PNG
(MLS000053281 | N-(5-methyl-1,2-oxazol-3-yl)-2-(4-p...)
Show SMILES Cc1cc(NC(=O)COc2nnc(-c3ccccc3)c3ccccc23)no1
Show InChI InChI=1S/C20H16N4O3/c1-13-11-17(24-27-13)21-18(25)12-26-20-16-10-6-5-9-15(16)19(22-23-20)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,21,24,25)
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n/an/an/an/a 0.0172n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48933
PNG
(5-[[2-[2-(1-benzimidazolyl)-1-oxoethoxy]-1-oxoethy...)
Show SMILES CCOC(=O)c1sc(NC(=O)COC(=O)Cn2cnc3ccccc23)c(C(=O)OCC)c1C
Show InChI InChI=1S/C22H23N3O7S/c1-4-30-21(28)18-13(3)19(22(29)31-5-2)33-20(18)24-16(26)11-32-17(27)10-25-12-23-14-8-6-7-9-15(14)25/h6-9,12H,4-5,10-11H2,1-3H3,(H,24,26)
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n/an/an/an/a 0.0103n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM41448
PNG
(2,2-diketo-6-phenyl-3,4-dihydrothiazolo[2,3-c][1,2...)
Show SMILES CCOC(=O)C1=C(N2C=CS(=O)(=O)NC2S1)c1ccccc1 |c:8,t:5|
Show InChI InChI=1S/C14H14N2O4S2/c1-2-20-13(17)12-11(10-6-4-3-5-7-10)16-8-9-22(18,19)15-14(16)21-12/h3-9,14-15H,2H2,1H3
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n/an/an/an/a 0.00189n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48940
PNG
((4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-...)
Show SMILES O=C(OCn1nnc2ccccc2c1=O)C1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C18H18N4O5S2/c23-17-14-4-1-2-5-15(14)19-20-22(17)12-27-18(24)13-7-9-21(10-8-13)29(25,26)16-6-3-11-28-16/h1-6,11,13H,7-10,12H2
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n/an/an/an/a 0.00817n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48948
PNG
(MLS000044676 | N-(2,3-dihydro-1,4-benzodioxin-2-yl...)
Show SMILES CCn1cc(C(=O)NCC2COc3ccccc3O2)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C23H24N2O6/c1-4-25-12-17(15-9-20(28-2)21(29-3)10-16(15)23(25)27)22(26)24-11-14-13-30-18-7-5-6-8-19(18)31-14/h5-10,12,14H,4,11,13H2,1-3H3,(H,24,26)
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n/an/an/an/a 0.00361n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48955
PNG
(MLS000049620 | N'-(benzenesulfonyl)-N-(6-methoxy-4...)
Show SMILES COc1cc(N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)ncn1 |w:5.4|
Show InChI InChI=1S/C18H16N4O3S/c1-25-17-12-16(19-13-20-17)21-18(14-8-4-2-5-9-14)22-26(23,24)15-10-6-3-7-11-15/h2-13H,1H3,(H,19,20,21,22)
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n/an/an/an/a 0.00331n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48956
PNG
(6-methyl-5-imidazo[2,1-b]thiazolecarboxylic acid e...)
Show SMILES CCOC(=O)c1c(C)nc2sccn12
Show InChI InChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)10-9-11(7)4-5-14-9/h4-5H,3H2,1-2H3
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n/an/an/an/a 0.0516n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48958
PNG
(2-[[2-[[5-[(2-amino-4-thiazolyl)methyl]-4-methyl-1...)
Show SMILES CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(Cc2csc(N)n2)n1C
Show InChI InChI=1S/C18H22N6O3S3/c1-5-27-16(26)14-9(2)10(3)30-15(14)21-13(25)8-29-18-23-22-12(24(18)4)6-11-7-28-17(19)20-11/h7H,5-6,8H2,1-4H3,(H2,19,20)(H,21,25)
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n/an/an/an/a 0.00367n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48970
PNG
(MLS000116276 | N-butyl-5-(3,4-dimethoxyphenyl)-1,2...)
Show SMILES CCCCNC(=O)c1cc(on1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C16H20N2O4/c1-4-5-8-17-16(19)12-10-14(22-18-12)11-6-7-13(20-2)15(9-11)21-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,19)
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n/an/an/an/a 0.00207n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM41474
PNG
(MLS000103371 | SMR000017250 | cid_1789058)
Show SMILES COCCCNc1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
Show InChI InChI=1S/C20H18N2O3/c1-25-11-5-10-21-18-17-12-6-2-3-7-13(12)19(23)14-8-4-9-15(16(14)17)22-20(18)24/h2-4,6-9,21H,5,10-11H2,1H3,(H,22,24)
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n/an/an/an/a 0.00942n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48978
PNG
(2-(4-fluorophenyl)-5-[(phenylmethyl)amino]-1,3-oxa...)
Show SMILES Fc1ccc(cc1)-c1nc(C#N)c(NCc2ccccc2)o1
Show InChI InChI=1S/C17H12FN3O/c18-14-8-6-13(7-9-14)16-21-15(10-19)17(22-16)20-11-12-4-2-1-3-5-12/h1-9,20H,11H2
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n/an/an/an/a 0.00105n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48986
PNG
(1-(2-methoxy-4-prop-2-enoxyphenyl)-1-propanone oxi...)
Show SMILES CCC(N=O)c1ccc(OCC=C)cc1OC
Show InChI InChI=1S/C13H17NO3/c1-4-8-17-10-6-7-11(12(5-2)14-15)13(9-10)16-3/h4,6-7,9,12H,1,5,8H2,2-3H3
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n/an/an/an/a 0.0183n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.000473n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48910
PNG
(MLS000073252 | N-[10-(3-morpholinopropanoyl)phenot...)
Show SMILES COC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN3CCOCC3)c2c1
Show InChI InChI=1S/C21H23N3O4S/c1-27-21(26)22-15-6-7-19-17(14-15)24(16-4-2-3-5-18(16)29-19)20(25)8-9-23-10-12-28-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,26)
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n/an/an/an/a 0.0279n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00212n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48938
PNG
(2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid...)
Show SMILES COC(=O)c1sc(=S)sc1C(=O)OC
Show InChI InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
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n/an/an/an/a 0.00847n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48939
PNG
(4-(4-chlorophenyl)-4,10-dihydro-[1,3,5]triazino[1,...)
Show SMILES NC1=NC(c2ccc(Cl)cc2)n2c(N1)nc1ccccc21 |t:1|
Show InChI InChI=1S/C15H12ClN5/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 0.0170n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48951
PNG
(1-benzyl-5-(morpholin-4-ylmethylideneamino)pyrazol...)
Show SMILES N#Cc1cnn(Cc2ccccc2)c1N=CN1CCOCC1 |w:14.15|
Show InChI InChI=1S/C16H17N5O/c17-10-15-11-19-21(12-14-4-2-1-3-5-14)16(15)18-13-20-6-8-22-9-7-20/h1-5,11,13H,6-9,12H2
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n/an/an/an/a 0.00965n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine 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 0.0160n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48957
PNG
((5Z)-2-(1-azepanyl)-5-(7-bromo-5-methyl-2-oxo-1H-i...)
Show SMILES Cc1cc2\C(C(=O)Nc2c(Br)c1)=C1\SC(=NC1=O)N1CCCCCC1 |c:16|
Show InChI InChI=1S/C18H18BrN3O2S/c1-10-8-11-13(16(23)20-14(11)12(19)9-10)15-17(24)21-18(25-15)22-6-4-2-3-5-7-22/h8-9H,2-7H2,1H3,(H,20,23)/b15-13-
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n/an/an/an/a 0.00103n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48959
PNG
(9-(2-thienyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g...)
Show SMILES O=C1CC(c2cccs2)c2cc3OCCOc3cc2N1
Show InChI InChI=1S/C15H13NO3S/c17-15-7-10(14-2-1-5-20-14)9-6-12-13(8-11(9)16-15)19-4-3-18-12/h1-2,5-6,8,10H,3-4,7H2,(H,16,17)
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n/an/an/an/a 0.0699n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48967
PNG
(MLS000116741 | N-(2-oxolanylmethyl)-4-tetrazolo[1,...)
Show SMILES C(Nc1nc2ccccc2n2nnnc12)C1CCCO1
Show InChI InChI=1S/C13H14N6O/c1-2-6-11-10(5-1)15-12(13-16-17-18-19(11)13)14-8-9-4-3-7-20-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
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n/an/an/an/a 0.0402n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine 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 0.00210n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00582n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 |t:6|
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 0.00851n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48946
PNG
(2-[(3-ethyl-4-keto-6-methyl-6,7-dihydrothieno[3,2-...)
Show SMILES CCn1c(SCC(=O)Nc2cc(C)on2)nc2CC(C)Sc2c1=O
Show InChI InChI=1S/C15H18N4O3S2/c1-4-19-14(21)13-10(6-9(3)24-13)16-15(19)23-7-12(20)17-11-5-8(2)22-18-11/h5,9H,4,6-7H2,1-3H3,(H,17,18,20)
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n/an/an/an/a 0.00738n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48949
PNG
(2-ethoxyethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-...)
Show SMILES CCOCCOC(=O)C1Sc2cc(C)ccc2N=C1C |c:18|
Show InChI InChI=1S/C15H19NO3S/c1-4-18-7-8-19-15(17)14-11(3)16-12-6-5-10(2)9-13(12)20-14/h5-6,9,14H,4,7-8H2,1-3H3
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n/an/an/an/a 0.0499n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM43357
PNG
(2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4...)
Show SMILES CN(C)c1oc(nc1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C12H10ClN3O/c1-16(2)12-10(7-14)15-11(17-12)8-5-3-4-6-9(8)13/h3-6H,1-2H3
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n/an/an/an/a 0.00186n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM35425
PNG
(4-[5-(3-carbomethoxy-5-keto-2-methyl-1,4-dihydroin...)
Show SMILES COC(=O)C1C(C2=C(N=C1C)c1ccccc1C2=O)c1ccc(o1)-c1ccc(cc1)C(O)=O |c:6,8|
Show InChI InChI=1S/C26H19NO6/c1-13-20(26(31)32-2)21(22-23(27-13)16-5-3-4-6-17(16)24(22)28)19-12-11-18(33-19)14-7-9-15(10-8-14)25(29)30/h3-12,20-21H,1-2H3,(H,29,30)
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n/an/an/an/a 0.0120n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48965
PNG
(2-amino-4-(4-pyridyl)thiophene-3-carboxylic acid e...)
Show SMILES CCOC(=O)c1c(N)scc1-c1ccncc1
Show InChI InChI=1S/C12H12N2O2S/c1-2-16-12(15)10-9(7-17-11(10)13)8-3-5-14-6-4-8/h3-7H,2,13H2,1H3
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n/an/an/an/a 0.0117n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48969
PNG
(MLS000115755 | SMR000092778 | [3-amino-4-(methoxym...)
Show SMILES COCc1cc(C)nc2sc(C(=O)N3CCN(CC3)c3ccccc3)c(N)c12
Show InChI InChI=1S/C21H24N4O2S/c1-14-12-15(13-27-2)17-18(22)19(28-20(17)23-14)21(26)25-10-8-24(9-11-25)16-6-4-3-5-7-16/h3-7,12H,8-11,13,22H2,1-2H3
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n/an/an/an/a 0.000212n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48905
PNG
(2-amino-4-(3-thienyl)thiophene-3-carboxylic acid e...)
Show SMILES CCOC(=O)c1c(N)scc1-c1ccsc1
Show InChI InChI=1S/C11H11NO2S2/c1-2-14-11(13)9-8(6-16-10(9)12)7-3-4-15-5-7/h3-6H,2,12H2,1H3
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n/an/an/an/a 0.00302n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 |c:17|
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 0.0254n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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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n/an/an/an/a 0.00173n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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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n/an/an/an/a 0.00668n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00452n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00544n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine 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 |c:15|
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 0.0134n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48926
PNG
(2-ethyl-4-(1-piperidinyl)benzofuro[3,2-d]pyrimidin...)
Show SMILES CCc1nc(N2CCCCC2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C17H19N3O/c1-2-14-18-15-12-8-4-5-9-13(12)21-16(15)17(19-14)20-10-6-3-7-11-20/h4-5,8-9H,2-3,6-7,10-11H2,1H3
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n/an/an/an/a 0.00455n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.0172n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48929
PNG
(2-N-(4-methoxyphenyl)-6-[(1-methyltetrazol-5-yl)su...)
Show SMILES COc1ccc(Nc2nc(N)nc(CSc3nnnn3C)n2)cc1
Show InChI InChI=1S/C13H15N9OS/c1-22-13(19-20-21-22)24-7-10-16-11(14)18-12(17-10)15-8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18)
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n/an/an/an/a 0.000516n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM38950
PNG
(MLS000056567 | N-[2-(3,4-dimethoxyphenyl)ethyl]-5-...)
Show SMILES COc1ccc(CCNc2nnc(Sc3nnnn3-c3ccccc3)s2)cc1OC
Show InChI InChI=1S/C19H19N7O2S2/c1-27-15-9-8-13(12-16(15)28-2)10-11-20-17-21-23-19(29-17)30-18-22-24-25-26(18)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
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n/an/an/an/a 0.0113n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48943
PNG
(1-(cyclopropylcarbonyl)-5-{[4-(2-furoyl)piperazin-...)
Show SMILES O=C(C1CC1)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C21H23N3O5S/c25-20(15-3-4-15)24-8-7-16-14-17(5-6-18(16)24)30(27,28)23-11-9-22(10-12-23)21(26)19-2-1-13-29-19/h1-2,5-6,13-15H,3-4,7-12H2
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n/an/an/an/a 0.0200n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine 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 0.00107n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48966
PNG
(1-(3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)Cc4ccccc4OC)c3nc2c1
Show InChI InChI=1S/C20H18N4O3/c1-26-14-8-7-12-9-15-19(21)23-24(20(15)22-16(12)11-14)18(25)10-13-5-3-4-6-17(13)27-2/h3-9,11H,10H2,1-2H3,(H2,21,23)
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n/an/an/an/a 0.000635n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48973
PNG
(2-furanyl-[2-[(3-methylphenyl)methylthio]-4,5-dihy...)
Show SMILES Cc1cccc(CSC2=NCCN2C(=O)c2ccco2)c1 |t:8|
Show InChI InChI=1S/C16H16N2O2S/c1-12-4-2-5-13(10-12)11-21-16-17-7-8-18(16)15(19)14-6-3-9-20-14/h2-6,9-10H,7-8,11H2,1H3
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n/an/an/an/a 0.0240n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00195n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48980
PNG
((1-isopropylbenzimidazol-2-yl)-phenyl-methanol | M...)
Show SMILES CC(C)n1c(nc2ccccc12)C(O)c1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h3-12,16,20H,1-2H3
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n/an/an/an/a 0.0331n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48983
PNG
(2-(2-methylallylthio)-1-pyrindan-3-carbonitrile | ...)
Show SMILES CC(=C)CSc1nc2CCCc2cc1C#N
Show InChI InChI=1S/C13H14N2S/c1-9(2)8-16-13-11(7-14)6-10-4-3-5-12(10)15-13/h6H,1,3-5,8H2,2H3
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n/an/an/an/a 0.0335n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00407n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.000661n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00428n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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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n/an/an/an/a 0.00679n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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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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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.0174n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48916
PNG
(1-acetyl-2'-amino-7',9'-dimethyl-3'-spiro[piperidi...)
Show SMILES CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1c2sc2nc(C)cc(C)c12
Show InChI InChI=1S/C19H20N4O2S/c1-10-8-11(2)22-18-14(10)15-16(26-18)19(13(9-20)17(21)25-15)4-6-23(7-5-19)12(3)24/h8,13,21H,4-7H2,1-3H3
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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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine 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 |t:2|
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 0.00394n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00201n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.0116n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48942
PNG
(MLS000093169 | N-(1,3-benzodioxol-5-yl)-3-(1-ethyl...)
Show SMILES CCn1ncc(C2=NOC(C2)C(=O)Nc2ccc3OCOc3c2)c1C |t:6|
Show InChI InChI=1S/C17H18N4O4/c1-3-21-10(2)12(8-18-21)13-7-16(25-20-13)17(22)19-11-4-5-14-15(6-11)24-9-23-14/h4-6,8,16H,3,7,9H2,1-2H3,(H,19,22)
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n/an/an/an/a 0.0189n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48954
PNG
(1-[2-(2-allylphenoxy)ethyl]-1H-imidazole | 1-[2-(2...)
Show SMILES C=CCc1ccccc1OCCn1ccnc1
Show InChI InChI=1S/C14H16N2O/c1-2-5-13-6-3-4-7-14(13)17-11-10-16-9-8-15-12-16/h2-4,6-9,12H,1,5,10-11H2
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n/an/an/an/a 0.0302n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48964
PNG
(MLS000052398 | N-cyclohexyl-1,3-diethyl-2,4-bis(ox...)
Show SMILES CCn1c2ccc(cc2c(=O)n(CC)c1=O)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C18H25N3O4S/c1-3-20-16-11-10-14(12-15(16)17(22)21(4-2)18(20)23)26(24,25)19-13-8-6-5-7-9-13/h10-13,19H,3-9H2,1-2H3
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n/an/an/an/a 0.132n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine 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 0.00175n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48975
PNG
(2-(butylthio)-3-ethyl-6-methyl-6,7-dihydrothieno[3...)
Show SMILES CCCCSc1nc2CC(C)Sc2c(=O)n1CC
Show InChI InChI=1S/C13H20N2OS2/c1-4-6-7-17-13-14-10-8-9(3)18-11(10)12(16)15(13)5-2/h9H,4-8H2,1-3H3
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n/an/an/an/a 0.00374n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48982
PNG
(MLS000107920 | N-(1,3-benzodioxol-5-yl)-5-methyl-3...)
Show SMILES Cc1onc(c1C(=O)Nc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O4/c1-11-16(17(20-24-11)12-5-3-2-4-6-12)18(21)19-13-7-8-14-15(9-13)23-10-22-14/h2-9H,10H2,1H3,(H,19,21)
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n/an/an/an/a 0.0373n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine 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 0.0113n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.00125n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48920
PNG
(3-(4-morpholinyl)-1-propyl-5,6,7,8-tetrahydroisoqu...)
Show SMILES CCCc1nc(N2CCOCC2)c(C#N)c2CCCCc12
Show InChI InChI=1S/C17H23N3O/c1-2-5-16-14-7-4-3-6-13(14)15(12-18)17(19-16)20-8-10-21-11-9-20/h2-11H2,1H3
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n/an/an/an/a 0.00492n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.0547n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 |t:1|
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 0.0128n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) 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 0.0000236n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48944
PNG
(1'-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}s...)
Show SMILES Clc1cccc(c1)N1CCN(CN2C(=O)C3(OCCCO3)c3ccccc23)CC1
Show InChI InChI=1S/C22H24ClN3O3/c23-17-5-3-6-18(15-17)25-11-9-24(10-12-25)16-26-20-8-2-1-7-19(20)22(21(26)27)28-13-4-14-29-22/h1-3,5-8,15H,4,9-14,16H2
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n/an/an/an/a 0.00712n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48960
PNG
(MLS000088295 | N-(2-hydroxyethyl)-2-methyl-5-(3-me...)
Show SMILES Cc1ccc(cc1S(=O)(=O)NCCO)-c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C18H19N3O4S/c1-12-7-8-13(11-16(12)26(24,25)19-9-10-22)17-14-5-3-4-6-15(14)18(23)21(2)20-17/h3-8,11,19,22H,9-10H2,1-2H3
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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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48968
PNG
(2-[4-[[3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl...)
Show SMILES Cc1cc(C)n(n1)-c1nc2ccccc2nc1Nc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C21H19N5O2/c1-13-11-14(2)26(25-13)21-20(23-17-5-3-4-6-18(17)24-21)22-16-9-7-15(8-10-16)12-19(27)28/h3-11H,12H2,1-2H3,(H,22,23)(H,27,28)
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n/an/an/an/a 0.00111n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48972
PNG
(4-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis...)
Show SMILES Cn1c2nc(SCCCC#N)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H18FN5O2S/c1-22-15-14(16(25)23(2)18(22)26)24(11-12-7-3-4-8-13(12)19)17(21-15)27-10-6-5-9-20/h3-4,7-8H,5-6,10-11H2,1-2H3
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n/an/an/an/a 0.0341n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48977
PNG
(2-(butan-2-ylthio)-3-methyl-5H-pyrimido[5,4-b]indo...)
Show SMILES CCC(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1C
Show InChI InChI=1S/C15H17N3OS/c1-4-9(2)20-15-17-12-10-7-5-6-8-11(10)16-13(12)14(19)18(15)3/h5-9,16H,4H2,1-3H3
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n/an/an/an/a 0.00836n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48981
PNG
(2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,8...)
Show SMILES Cc1ccc2N(C(=O)CSc3nncn3C)C(C)(C)c3ssc(=S)c3-c2c1
Show InChI InChI=1S/C18H18N4OS4/c1-10-5-6-12-11(7-10)14-15(26-27-16(14)24)18(2,3)22(12)13(23)8-25-17-20-19-9-21(17)4/h5-7,9H,8H2,1-4H3
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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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48984
PNG
(MLS000107876 | SMR000103840 | US11718589, Compound...)
Show SMILES COc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O2/c1-29-14-7-5-13(6-8-14)15-11-17(20(21,22)23)27-18(24-15)12-16(25-27)19(28)26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10H2,1H3
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n/an/an/an/a 0.0216n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48904
PNG
(5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline | MLS00...)
Show SMILES c1nnc2c3ccccc3nc(-c3ccccc3)n12
Show InChI InChI=1S/C15H10N4/c1-2-6-11(7-3-1)14-17-13-9-5-4-8-12(13)15-18-16-10-19(14)15/h1-10H
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n/an/an/an/a 0.00172n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM9461
PNG
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
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n/an/an/an/a 0.00334n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48935
PNG
(4-amino-3-ethyl-2-sulfanylidene-5-thiazolecarboxyl...)
Show SMILES CCOC(=O)c1sc(=S)n(CC)c1N
Show InChI InChI=1S/C8H12N2O2S2/c1-3-10-6(9)5(14-8(10)13)7(11)12-4-2/h3-4,9H2,1-2H3
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n/an/an/an/a 0.0183n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48936
PNG
(1-ethyl-5-(ethylthio)-2-phenyl-imidazole;hydrochlo...)
Show SMILES CCSc1cnc(-c2ccccc2)n1CC
Show InChI InChI=1S/C13H16N2S/c1-3-15-12(16-4-2)10-14-13(15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
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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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48937
PNG
(1-phenyl-5-thiazolo[3,2-a]quinazolinone | 1-phenyl...)
Show SMILES O=c1nc2scc(-c3ccccc3)n2c2ccccc12
Show InChI InChI=1S/C16H10N2OS/c19-15-12-8-4-5-9-13(12)18-14(10-20-16(18)17-15)11-6-2-1-3-7-11/h1-10H
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n/an/an/an/a 0.326n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM47104
PNG
(MLS000092489 | N-(1,3-benzodioxol-5-yl)-2-(1-ethyl...)
Show SMILES CCn1c2ccccc2c(SCC(=O)Nc2ccc3OCOc3c2)cc1=O
Show InChI InChI=1S/C20H18N2O4S/c1-2-22-15-6-4-3-5-14(15)18(10-20(22)24)27-11-19(23)21-13-7-8-16-17(9-13)26-12-25-16/h3-10H,2,11-12H2,1H3,(H,21,23)
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n/an/an/an/a 0.0109n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48947
PNG
(6-(amylthio)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-...)
Show SMILES CCCCCSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H18N4OS/c1-2-3-7-10-22-16-18-14-13(15(21)19-16)11-17-20(14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,18,19,21)
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n/an/an/an/a 0.148n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM48962
PNG
(3-ethoxy-4-methoxy-N-(2-methoxyethyl)benzamide | M...)
Show SMILES CCOc1cc(ccc1OC)C(=O)NCCOC
Show InChI InChI=1S/C13H19NO4/c1-4-18-12-9-10(5-6-11(12)17-3)13(15)14-7-8-16-2/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
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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/Q2MW2FJG
More data for this
Ligand-Target Pair
D(1B) dopamine 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 0.00504n/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/Q2MW2FJG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%