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Compile Data Set for Download or QSAR

Found 185 hits Enz. Inhib. hit(s) with all data for entry = 4104   
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
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47761
PNG
(2-(5-nitropyridin-2-yl)sulfanylpyridin-3-amine | 2...)
Show SMILES Nc1cccnc1Sc1ccc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C10H8N4O2S/c11-8-2-1-5-12-10(8)17-9-4-3-7(6-13-9)14(15)16/h1-6H,11H2
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47762
PNG
(4-butyl-3-(5-isopropyl-3-thienyl)-1H-1,2,4-triazol...)
Show SMILES CCCCn1c(n[nH]c1=S)-c1csc(c1)C(C)C
Show InChI InChI=1S/C13H19N3S2/c1-4-5-6-16-12(14-15-13(16)17)10-7-11(9(2)3)18-8-10/h7-9H,4-6H2,1-3H3,(H,15,17)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47763
PNG
(1-(4-chloranyl-2,5-dimethoxy-phenyl)sulfonyl-2-eth...)
Show SMILES CCc1nccn1S(=O)(=O)c1cc(OC)c(Cl)cc1OC
Show InChI InChI=1S/C13H15ClN2O4S/c1-4-13-15-5-6-16(13)21(17,18)12-8-10(19-2)9(14)7-11(12)20-3/h5-8H,4H2,1-3H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47764
PNG
((4E)-5-methyl-4-[[3-[[(Z)-(3-methyl-1-phenyl-5-sul...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=S)c1C=NCCCN=Cc1c(C)[nH]n(-c2ccccc2)c1=S |w:14.16,18.19|
Show InChI InChI=1S/C25H26N6S2/c1-18-22(24(32)30(28-18)20-10-5-3-6-11-20)16-26-14-9-15-27-17-23-19(2)29-31(25(23)33)21-12-7-4-8-13-21/h3-8,10-13,16-17,28-29H,9,14-15H2,1-2H3
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n/an/an/an/a 8.79E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47765
PNG
(MLS000677175 | N-(dibenzylcarbamothioyl)-2-methylp...)
Show SMILES CC(C)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C19H22N2OS/c1-15(2)18(22)20-19(23)21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,22,23)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47766
PNG
(MLS000676949 | N-[(1,5-dimethyl-3-oxidanylidene-2-...)
Show SMILES Cc1c(NC(=S)NC(=O)C2CCCCC2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C19H24N4O2S/c1-13-16(18(25)23(22(13)2)15-11-7-4-8-12-15)20-19(26)21-17(24)14-9-5-3-6-10-14/h4,7-8,11-12,14H,3,5-6,9-10H2,1-2H3,(H2,20,21,24,26)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47767
PNG
(3-(phenoxymethyl)-4-(phenylmethyl)-1H-1,2,4-triazo...)
Show SMILES S=c1[nH]nc(COc2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c21-16-18-17-15(12-20-14-9-5-2-6-10-14)19(16)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,21)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47768
PNG
(MLS000681208 | N-[2-(3,5-dimethylphenoxy)ethyl]-3-...)
Show SMILES COc1cccc(c1)C(=O)NCCOc1cc(C)cc(C)c1
Show InChI InChI=1S/C18H21NO3/c1-13-9-14(2)11-17(10-13)22-8-7-19-18(20)15-5-4-6-16(12-15)21-3/h4-6,9-12H,7-8H2,1-3H3,(H,19,20)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47769
PNG
(2-[4-(2,6-dimethyl-4-morpholinyl)butoxy]benzoic ac...)
Show SMILES COC(=O)c1ccccc1OCCCCN1CC(C)OC(C)C1
Show InChI InChI=1S/C18H27NO4/c1-14-12-19(13-15(2)23-14)10-6-7-11-22-17-9-5-4-8-16(17)18(20)21-3/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47770
PNG
(4-[5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene...)
Show SMILES [#6]C1([#6])[#8]-[#6](=O)\[#6](=[#6]/c2ccc(o2)-c2ccc(cc2)S([#7])(=O)=O)-[#6](=O)-[#8]1
Show InChI InChI=1S/C17H15NO7S/c1-17(2)24-15(19)13(16(20)25-17)9-11-5-8-14(23-11)10-3-6-12(7-4-10)26(18,21)22/h3-9H,1-2H3,(H2,18,21,22)
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n/an/an/an/a 1.19E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM34849
PNG
(6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-...)
Show SMILES Cc1ccccc1-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-4-2-3-5-12(9)16-14(17)11-7-6-10(15)8-13(11)18-16/h2-8H,1H3
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n/an/an/an/a 1.60E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47771
PNG
(2-[(2-methylsulfanylphenyl)carbamoyl]bicyclo[2.2.1...)
Show SMILES [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1ccccc1SC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
Show InChI InChI=1S/C16H19NO3S/c1-21-12-5-3-2-4-11(12)17-15(18)13-9-6-7-10(8-9)14(13)16(19)20/h2-5,9-10,13-14H,6-8H2,1H3,(H,17,18)(H,19,20)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47772
PNG
(4-(4-bromophenyl)-3-[1-(4-chlorophenyl)-5-methyl-1...)
Show SMILES Cc1c(nnn1-c1ccc(Cl)cc1)-c1n[nH]c(=S)n1-c1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrClN6S/c1-10-15(20-23-25(10)14-8-4-12(19)5-9-14)16-21-22-17(26)24(16)13-6-2-11(18)3-7-13/h2-9H,1H3,(H,22,26)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47773
PNG
(MLS000693809 | N-cycloheptyl-4-ethoxy-benzenesulfo...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)NC1CCCCCC1
Show InChI InChI=1S/C15H23NO3S/c1-2-19-14-9-11-15(12-10-14)20(17,18)16-13-7-5-3-4-6-8-13/h9-13,16H,2-8H2,1H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47774
PNG
(MLS000621789 | N-(3-chloranyl-4-methyl-phenyl)-2-[...)
Show SMILES Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)cc1Cl
Show InChI InChI=1S/C25H29ClN4O2S/c1-18-10-11-19(16-21(18)26)27-23(31)17-33-25-28-22-9-4-3-8-20(22)24(32)30(25)15-7-14-29-12-5-2-6-13-29/h3-4,8-11,16H,2,5-7,12-15,17H2,1H3,(H,27,31)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47775
PNG
(MLS000621762 | N-(2-chlorophenyl)-2-({3-[3-(4-meth...)
Show SMILES CC1CCN(CCCn2c(SCC(=O)Nc3ccccc3Cl)nc3ccccc3c2=O)CC1
Show InChI InChI=1S/C25H29ClN4O2S/c1-18-11-15-29(16-12-18)13-6-14-30-24(32)19-7-2-4-9-21(19)28-25(30)33-17-23(31)27-22-10-5-3-8-20(22)26/h2-5,7-10,18H,6,11-17H2,1H3,(H,27,31)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47776
PNG
(3-chloranyl-N-(3-morpholin-4-ylpropyl)-6-nitro-1-b...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)c(sc2c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C16H18ClN3O4S/c17-14-12-3-2-11(20(22)23)10-13(12)25-15(14)16(21)18-4-1-5-19-6-8-24-9-7-19/h2-3,10H,1,4-9H2,(H,18,21)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47777
PNG
(MLS000375249 | N-[1-[1-[2-[4-(diethylamino)anilino...)
Show SMILES CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-5-33(6-2)24-17-15-23(16-18-24)31-27(35)19-34-26-10-8-7-9-25(26)32-28(34)21(4)30-29(36)22-13-11-20(3)12-14-22/h7-18,21H,5-6,19H2,1-4H3,(H,30,36)(H,31,35)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47778
PNG
(1-(2-methoxy-5-methyl-phenyl)-3-(3-methoxyphenyl)u...)
Show SMILES COc1cccc(NC(=O)Nc2cc(C)ccc2OC)c1
Show InChI InChI=1S/C16H18N2O3/c1-11-7-8-15(21-3)14(9-11)18-16(19)17-12-5-4-6-13(10-12)20-2/h4-10H,1-3H3,(H2,17,18,19)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47779
PNG
(2-furanyl-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-p...)
Show SMILES [O-][N+](=O)c1ccc(cc1N1CCOCC1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H22N4O5/c24-19(18-2-1-11-28-18)22-7-5-20(6-8-22)15-3-4-16(23(25)26)17(14-15)21-9-12-27-13-10-21/h1-4,11,14H,5-10,12-13H2
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47780
PNG
(2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(phe...)
Show SMILES Cc1cc(C)cc(c1)N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C20H26N2O3S2/c1-16-11-17(2)13-19(12-16)22(27(3,24)25)14-20(23)21-9-10-26-15-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,21,23)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47781
PNG
(5-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-5-ox...)
Show SMILES OC(=O)CCCC(=O)N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H27NO4/c25-21(12-7-13-22(26)27)24-16-14-20(15-17-24)23(28,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20,28H,7,12-17H2,(H,26,27)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47782
PNG
(4-(2-methoxyphenyl)-3-phenyl-1H-1,2,4-triazole-5-t...)
Show SMILES COc1ccccc1-n1c(n[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)|
Show InChI InChI=1S/C15H13N3OS/c1-19-13-10-6-5-9-12(13)18-14(16-17-15(18)20)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47783
PNG
(4-[(2-chloranyl-6-fluoranyl-phenyl)methylideneamin...)
Show SMILES Fc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1cccnc1 |w:9.10|
Show InChI InChI=1S/C14H9ClFN5S/c15-11-4-1-5-12(16)10(11)8-18-21-13(19-20-14(21)22)9-3-2-6-17-7-9/h1-8H,(H,20,22)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47784
PNG
(2-[[(2-acetamido-5-bromo-phenyl)-phenyl-methyl]ami...)
Show SMILES COC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(C)=O
Show InChI InChI=1S/C18H19BrN2O3/c1-12(22)21-16-9-8-14(19)10-15(16)18(20-11-17(23)24-2)13-6-4-3-5-7-13/h3-10,18,20H,11H2,1-2H3,(H,21,22)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47785
PNG
(2-(ethylthio)-N-(3-pyridinylmethyl)benzamide | 2-(...)
Show SMILES CCSc1ccccc1C(=O)NCc1cccnc1
Show InChI InChI=1S/C15H16N2OS/c1-2-19-14-8-4-3-7-13(14)15(18)17-11-12-6-5-9-16-10-12/h3-10H,2,11H2,1H3,(H,17,18)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47786
PNG
(6-chloro-3-pyridinecarboxylic acid [2-(tert-butyla...)
Show SMILES CC(C)(C)NC(=O)COC(=O)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O3/c1-12(2,3)15-10(16)7-18-11(17)8-4-5-9(13)14-6-8/h4-6H,7H2,1-3H3,(H,15,16)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47787
PNG
(1-(1-adamantyl)-3-(1,3-benzodioxol-5-ylmethyl)urea...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCc1ccc2OCOc2c1 |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Show InChI InChI=1S/C19H24N2O3/c22-18(20-10-12-1-2-16-17(6-12)24-11-23-16)21-19-7-13-3-14(8-19)5-15(4-13)9-19/h1-2,6,13-15H,3-5,7-11H2,(H2,20,21,22)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47788
PNG
(MLS000693599 | SMR000285488 | [3-cyclohexyl-5-hydr...)
Show SMILES OC1(CC(=NN1C(=O)c1ccncc1)C1CCCCC1)C(F)(F)F |c:3|
Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)15(24)10-13(11-4-2-1-3-5-11)21-22(15)14(23)12-6-8-20-9-7-12/h6-9,11,24H,1-5,10H2
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47789
PNG
(1-(2-chloranyl-4-nitro-phenyl)-3-methyl-piperazine...)
Show SMILES CC1CN(CCN1)c1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C11H14ClN3O2/c1-8-7-14(5-4-13-8)11-3-2-9(15(16)17)6-10(11)12/h2-3,6,8,13H,4-5,7H2,1H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47790
PNG
(2-(4,6-dimethyl-3-oxidanylidene-[1,2]thiazolo[5,4-...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(F)c1)c2=O
Show InChI InChI=1S/C16H14FN3O2S/c1-9-6-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-4-11(17)7-12/h3-7H,8H2,1-2H3,(H,19,21)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47791
PNG
(2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridin-2...)
Show SMILES CCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C13H17N3O2S/c1-4-5-14-10(17)7-16-13(18)11-8(2)6-9(3)15-12(11)19-16/h6H,4-5,7H2,1-3H3,(H,14,17)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47792
PNG
(MLS000689390 | N-(2-chloranyl-4-methyl-phenyl)-2-(...)
Show SMILES Cc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1
Show InChI InChI=1S/C17H16ClN3O2S/c1-9-4-5-13(12(18)6-9)20-14(22)8-21-17(23)15-10(2)7-11(3)19-16(15)24-21/h4-7H,8H2,1-3H3,(H,20,22)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47793
PNG
(2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanil...)
Show SMILES [#6]-[#16]-c1ccc(cc1)S(=O)(=O)[#7](-[#6]-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)-c1ccc(-[#6])cc1
Show InChI InChI=1S/C22H28N4O3S2/c1-17-4-6-19(7-5-17)26(31(28,29)21-10-8-20(30-3)9-11-21)16-22(27)24-23-18-12-14-25(2)15-13-18/h4-11H,12-16H2,1-3H3,(H,24,27)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47794
PNG
(MLS000419420 | N-(5-chloranyl-4-methyl-1,3-benzoth...)
Show SMILES CC(=O)Nc1nc2c(C)c(Cl)ccc2s1
Show InChI InChI=1S/C10H9ClN2OS/c1-5-7(11)3-4-8-9(5)13-10(15-8)12-6(2)14/h3-4H,1-2H3,(H,12,13,14)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47795
PNG
(MLS000686223 | N-[2-(2-methoxyphenyl)ethyl]-2-[(6-...)
Show SMILES COc1ccccc1CCNC(=O)CSc1nnc2ccc(nn12)-c1cccnc1
Show InChI InChI=1S/C21H20N6O2S/c1-29-18-7-3-2-5-15(18)10-12-23-20(28)14-30-21-25-24-19-9-8-17(26-27(19)21)16-6-4-11-22-13-16/h2-9,11,13H,10,12,14H2,1H3,(H,23,28)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47796
PNG
((E)-1-(3,5-dimethyl-1-piperidinyl)-3-(5-nitro-2-th...)
Show SMILES CC1CC(C)CN(C1)C(=O)\C=C\c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C14H18N2O3S/c1-10-7-11(2)9-15(8-10)13(17)5-3-12-4-6-14(20-12)16(18)19/h3-6,10-11H,7-9H2,1-2H3/b5-3+
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47797
PNG
(MLS000684930 | N-[2-[6-[2-(diethylamino)ethylamino...)
Show SMILES CCN(CC)CCNc1ccc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)n2n1
Show InChI InChI=1S/C20H29N7O2S/c1-4-26(5-2)15-14-21-18-10-11-19-23-24-20(27(19)25-18)12-13-22-30(28,29)17-8-6-16(3)7-9-17/h6-11,22H,4-5,12-15H2,1-3H3,(H,21,25)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47798
PNG
(4-chloranyl-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl...)
Show SMILES CNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1
Show InChI InChI=1S/C10H11ClN6S/c1-5-4-6(2)14-9(13-5)18-10-16-7(11)15-8(12-3)17-10/h4H,1-3H3,(H,12,15,16,17)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47799
PNG
(2-(benzenesulfonyl)-N-[4-(2-pyrimidinylsulfamoyl)p...)
Show SMILES O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C18H16N4O5S2/c23-17(13-28(24,25)15-5-2-1-3-6-15)21-14-7-9-16(10-8-14)29(26,27)22-18-19-11-4-12-20-18/h1-12H,13H2,(H,21,23)(H,19,20,22)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47800
PNG
(MLS000736409 | N'-[(E)-(2-fluorophenyl)methyli...)
Show SMILES Fc1ccccc1C=NNS(=O)(=O)c1ccccc1 |w:8.9|
Show InChI InChI=1S/C13H11FN2O2S/c14-13-9-5-4-6-11(13)10-15-16-19(17,18)12-7-2-1-3-8-12/h1-10,16H
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47801
PNG
(4-methoxy-N-(4-pyrrol-1-ylphenyl)benzenesulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C17H16N2O3S/c1-22-16-8-10-17(11-9-16)23(20,21)18-14-4-6-15(7-5-14)19-12-2-3-13-19/h2-13,18H,1H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47802
PNG
(2-thiophenecarboxylic acid [4-[4-(dimethoxymethyl)...)
Show SMILES COC(OC)c1ccnc(n1)-c1ccc(OC(=O)c2cccs2)cc1
Show InChI InChI=1S/C18H16N2O4S/c1-22-18(23-2)14-9-10-19-16(20-14)12-5-7-13(8-6-12)24-17(21)15-4-3-11-25-15/h3-11,18H,1-2H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM33192
PNG
(3,4,5-trihydroxy-N'-[(1Z)-1-(4-nitrophenyl)eth...)
Show SMILES CC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(cc1)[N+]([O-])=O |w:2.2|
Show InChI InChI=1S/C15H13N3O6/c1-8(9-2-4-11(5-3-9)18(23)24)16-17-15(22)10-6-12(19)14(21)13(20)7-10/h2-7,19-21H,1H3,(H,17,22)
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n/an/an/an/a 1.95E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
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n/an/an/an/a 1.75E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/an/an/a 9.68E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47804
PNG
(1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyr...)
Show SMILES Cn1c(SCC(=O)N2CCCC2=O)nc2ccccc12
Show InChI InChI=1S/C14H15N3O2S/c1-16-11-6-3-2-5-10(11)15-14(16)20-9-13(19)17-8-4-7-12(17)18/h2-3,5-6H,4,7-9H2,1H3
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47805
PNG
(3-amino-N-cyclopentyl-4,6-dimethyl-2-thieno[2,3-b]...)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NC1CCCC1
Show InChI InChI=1S/C15H19N3OS/c1-8-7-9(2)17-15-11(8)12(16)13(20-15)14(19)18-10-5-3-4-6-10/h7,10H,3-6,16H2,1-2H3,(H,18,19)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47806
PNG
(6-amino-5-[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quin...)
Show SMILES CCCn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C24H23N5O4S/c1-2-12-28-20(25)19(21(31)27-23(28)33)18(30)14-34-24-26-17-11-7-6-10-16(17)22(32)29(24)13-15-8-4-3-5-9-15/h3-11H,2,12-14,25H2,1H3,(H,27,31,33)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 16


(Homo sapiens (Human))		BDBM47807
PNG
((2S)-2-[[5-[[(1R)-1-phenylethyl]carbamoyl]-1H-imid...)
Show SMILES C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@H](C)c1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C20H26N4O4/c1-12(14-9-7-6-8-10-14)23-17(25)15-16(22-11-21-15)18(26)24-13(2)19(27)28-20(3,4)5/h6-13H,1-5H3,(H,21,22)(H,23,25)(H,24,26)/t12-,13+/m1/s1
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
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