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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 4118   
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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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))		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
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