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Compile Data Set for Download or QSAR

Found 185 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4102   
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 7


(Homo sapiens (Human))
BDBM47693
PNG
(1-[3-(2-Chloro-6-fluoro-benzyl)-3H-[1,2,3]triazolo...)
Show SMILES OC1CCN(CC1)c1ncnc2n(Cc3c(F)cccc3Cl)nnc12
Show InChI InChI=1S/C16H16ClFN6O/c17-12-2-1-3-13(18)11(12)8-24-16-14(21-22-24)15(19-9-20-16)23-6-4-10(25)5-7-23/h1-3,9-10,25H,4-8H2
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47694
PNG
((6,7-Dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a...)
Show SMILES C1Cc2nc3ncnn3c(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H13N5/c1-2-5-10(6-3-1)17-13-11-7-4-8-12(11)18-14-15-9-16-19(13)14/h1-3,5-6,9,17H,4,7-8H2
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47695
PNG
(2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2-methoxyan...)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccccc1OC)c1cccn1C
Show InChI InChI=1S/C27H32N6O3/c1-6-27(2,3)28-26(35)25(22-15-11-17-31(22)4)33(21-14-9-10-16-23(21)36-5)24(34)18-32-20-13-8-7-12-19(20)29-30-32/h7-17,25H,6,18H2,1-5H3,(H,28,35)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47696
PNG
(4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)amino]-4-ke...)
Show SMILES COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
Show InChI InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)17)14-8(15)4-5-9(16)18-3/h4-5H2,1-3H3,(H2,13,17)(H,14,15)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47697
PNG
(MLS000071118 | SMR000003789 | [2-(2,3-dihydro-1H-i...)
Show SMILES O=C(N1CCOCC1)c1cccnc1Nc1ccc2CCCc2c1
Show InChI InChI=1S/C19H21N3O2/c23-19(22-9-11-24-12-10-22)17-5-2-8-20-18(17)21-16-7-6-14-3-1-4-15(14)13-16/h2,5-8,13H,1,3-4,9-12H2,(H,20,21)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM32760
PNG
(3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethy...)
Show SMILES Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C17H20ClN7O/c18-14-4-2-1-3-13(14)11-25-17-15(22-23-25)16(20-12-21-17)19-5-6-24-7-9-26-10-8-24/h1-4,12H,5-11H2,(H,19,20,21)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM41758
PNG
((2-{2-[5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsu...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)CSc2nnc(o2)-c2ccc(F)cc2)n1
Show InChI InChI=1S/C17H15FN4O4S2/c1-2-25-14(24)7-12-8-27-16(19-12)20-13(23)9-28-17-22-21-15(26-17)10-3-5-11(18)6-4-10/h3-6,8H,2,7,9H2,1H3,(H,19,20,23)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47698
PNG
(5-tert-butyl-3-[(2-chlorophenyl)methyl]-N-(2-morph...)
Show SMILES CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1
Show InChI InChI=1S/C21H28ClN7O/c1-21(2,3)20-24-18(23-8-9-28-10-12-30-13-11-28)17-19(25-20)29(27-26-17)14-15-6-4-5-7-16(15)22/h4-7H,8-14H2,1-3H3,(H,23,24,25)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47699
PNG
(2-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]amino...)
Show SMILES Oc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1
Show InChI InChI=1S/C19H20N4O2/c24-17-10-4-3-9-16(17)22-19-21-15-8-2-1-7-14(15)18(23-19)20-12-13-6-5-11-25-13/h1-4,7-10,13,24H,5-6,11-12H2,(H2,20,21,22,23)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47700
PNG
(2-(4-methyl-1-piperidinyl)aniline | 2-(4-methylpip...)
Show SMILES CC1CCN(CC1)c1ccccc1N
Show InChI InChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47701
PNG
(3-(2-hydroxy-3-phenoxypropyl)-5-[oxo-[(phenylmethy...)
Show SMILES COC(=O)c1c(ncn1CC(O)COc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-29-22(28)20-19(21(27)23-12-16-8-4-2-5-9-16)24-15-25(20)13-17(26)14-30-18-10-6-3-7-11-18/h2-11,15,17,26H,12-14H2,1H3,(H,23,27)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47702
PNG
(MLS000089261 | N-(5-methyl-2-pyridin-2-yl-pyrazol-...)
Show SMILES Cc1cc(NC(=O)C2CCC2)n(n1)-c1ccccn1
Show InChI InChI=1S/C14H16N4O/c1-10-9-13(16-14(19)11-5-4-6-11)18(17-10)12-7-2-3-8-15-12/h2-3,7-9,11H,4-6H2,1H3,(H,16,19)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM38361
PNG
(2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...)
Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM34336
PNG
(2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S2/c25-21-17-3-1-2-4-20(17)30-24(21)19-15-16(31(26,27)23-9-13-29-14-10-23)5-6-18(19)22-7-11-28-12-8-22/h1-6,15H,7-14H2
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47703
PNG
(2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-ter...)
Show SMILES CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 |t:15|
Show InChI InChI=1S/C17H21NO5/c1-17(2,3)12-4-6-13(7-5-12)18-15(19)11-23-16(20)14-10-21-8-9-22-14/h4-7,10H,8-9,11H2,1-3H3,(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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47704
PNG
(2-[[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-k...)
Show SMILES CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
Show InChI InChI=1S/C21H20N2O5S/c1-2-26-19(24)13-29-21-22-16-8-4-3-7-15(16)20(25)23(21)11-14-12-27-17-9-5-6-10-18(17)28-14/h3-10,14H,2,11-13H2,1H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM40034
PNG
(MLS000093573 | N-(3-keto-4-methyl-1,4-benzothiazin...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C20H28N4O2S/c1-22-17-13-15(5-6-18(17)27-14-19(22)25)21-20(26)24-11-7-16(8-12-24)23-9-3-2-4-10-23/h5-6,13,16H,2-4,7-12,14H2,1H3,(H,21,26)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM39255
PNG
(MLS000063222 | N-(2-chlorophenyl)-2-[(5-pyridin-4-...)
Show SMILES Clc1ccccc1NC(=O)CSc1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C15H11ClN4O2S/c16-11-3-1-2-4-12(11)18-13(21)9-23-15-20-19-14(22-15)10-5-7-17-8-6-10/h1-8H,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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47705
PNG
(1-[2-(difluoromethoxy)-5-methyl-phenyl]-3-(2,4-dim...)
Show SMILES COc1ccc(NC(=O)Nc2cc(C)ccc2OC(F)F)c(OC)c1
Show InChI InChI=1S/C17H18F2N2O4/c1-10-4-7-14(25-16(18)19)13(8-10)21-17(22)20-12-6-5-11(23-2)9-15(12)24-3/h4-9,16H,1-3H3,(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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47706
PNG
(2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5...)
Show SMILES Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1
Show InChI InChI=1S/C21H20N6OS2/c1-15-23-25-20(30-15)22-19(28)14-29-21-26-24-18(12-16-8-4-2-5-9-16)27(21)13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,22,25,28)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47707
PNG
(4-(2-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazol...)
Show SMILES Cc1ccccc1-n1c(n[nH]c1=S)-c1ccncc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|
Show InChI InChI=1S/C14H12N4S/c1-10-4-2-3-5-12(10)18-13(16-17-14(18)19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47708
PNG
(1-(4-chlorobenzyl)sulfonylisonipecotic acid ethyl ...)
Show SMILES CCOC(=O)C1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO4S/c1-2-21-15(18)13-7-9-17(10-8-13)22(19,20)11-12-3-5-14(16)6-4-12/h3-6,13H,2,7-11H2,1H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47709
PNG
(9-(2-thienyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazol...)
Show SMILES O=C1CCCC2=Nc3ncnn3C(C12)c1cccs1 |t:5|
Show InChI InChI=1S/C13H12N4OS/c18-9-4-1-3-8-11(9)12(10-5-2-6-19-10)17-13(16-8)14-7-15-17/h2,5-7,11-12H,1,3-4H2
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47710
PNG
((5-methyl-1,2-oxazol-3-yl)-[4-(2-phenylethyl)piper...)
Show SMILES Cc1cc(no1)C(=O)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C17H21N3O2/c1-14-13-16(18-22-14)17(21)20-11-9-19(10-12-20)8-7-15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47711
PNG
(5-methyl-2-[[oxo(3-pyridinyl)methyl]amino]-3-thiop...)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)c1cccnc1
Show InChI InChI=1S/C13H12N2O3S/c1-8-6-10(13(17)18-2)12(19-8)15-11(16)9-4-3-5-14-7-9/h3-7H,1-2H3,(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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM34510
PNG
(1-[2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridi...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C18H23N3O4S/c1-4-25-18(24)13-6-5-7-20(9-13)14(22)10-21-17(23)15-11(2)8-12(3)19-16(15)26-21/h8,13H,4-7,9-10H2,1-3H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47712
PNG
(4-bromanyl-2-[[(1-methylbenzimidazol-2-yl)amino]me...)
Show SMILES Cn1c(NCc2cc(Br)ccc2O)nc2ccccc12
Show InChI InChI=1S/C15H14BrN3O/c1-19-13-5-3-2-4-12(13)18-15(19)17-9-10-8-11(16)6-7-14(10)20/h2-8,20H,9H2,1H3,(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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47713
PNG
(MLS000113446 | N-(1,5-dimethyl-3-oxidanylidene-2-p...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C20H23N3O5S/c1-14-19(20(24)23(21(14)2)15-9-7-6-8-10-15)22(3)29(25,26)16-11-12-17(27-4)18(13-16)28-5/h6-13H,1-5H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47714
PNG
((2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazo...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C=C\C=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C23H23N2S2/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23/h5-17H,3-4H2,1-2H3/q+1
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM33066
PNG
(2,5-bis(chloranyl)-3-[2-(dimethylamino)-1,3-thiazo...)
Show SMILES CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
Show InChI InChI=1S/C15H15Cl2N3O2S/c1-19(2)15-18-7-8(23-15)9-10(16)14(22)12(11(17)13(9)21)20-5-3-4-6-20/h7H,3-6H2,1-2H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM32274
PNG
(2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
Show InChI InChI=1S/C19H22Cl2N4O2S/c1-23-7-9-24(10-8-23)16-15(21)17(26)13(14(20)18(16)27)12-11-22-19(28-12)25-5-3-2-4-6-25/h11H,2-10H2,1H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47716
PNG
(1-(4-fluorophenyl)-5-methyl-4,6-dioxo-3-(phenylmet...)
Show SMILES COC(=O)C1(Cc2ccccc2)NC(C2C1C(=O)N(C)C2=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN2O4/c1-25-19(26)16-17(20(25)27)22(21(28)29-2,12-13-6-4-3-5-7-13)24-18(16)14-8-10-15(23)11-9-14/h3-11,16-18,24H,12H2,1-2H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47719
PNG
((4-chlorodithiazol-5-ylidene)-(4-chloro-2-methyl-p...)
Show SMILES Cc1cc(Cl)ccc1\N=c1\ssnc1Cl
Show InChI InChI=1S/C9H6Cl2N2S2/c1-5-4-6(10)2-3-7(5)12-9-8(11)13-15-14-9/h2-4H,1H3/b12-9+
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47720
PNG
(2-N,2-N-diethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,...)
Show SMILES CCN(CC)c1nc(N)nc(n1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H22N6/c1-3-24(4-2)18-21-17(20)22-19(23-18)25(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H2,20,21,22,23)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM33090
PNG
((4E)-4-[[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)a...)
Show SMILES CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1|
Show InChI InChI=1S/C13H15N3O3S/c1-3-14-13-16(8(2)7-20-13)15-6-9-4-5-10(17)12(19)11(9)18/h4-7,17-19H,3H2,1-2H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47723
PNG
((5Z)-1-(2-furanylmethyl)-2-sulfanylidene-5-[(thiop...)
Show SMILES O=C1NC(=S)N(Cc2ccco2)C(=O)C1=CNCc1cccs1 |w:15.17|
Show InChI InChI=1S/C15H13N3O3S2/c19-13-12(8-16-7-11-4-2-6-23-11)14(20)18(15(22)17-13)9-10-3-1-5-21-10/h1-6,8,16H,7,9H2,(H,17,19,22)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47724
PNG
(MLS000569357 | SMR000154979 | [1-[4-[(2-bromobenzo...)
Show SMILES OP(=O)(c1nccn1-c1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1
Show InChI InChI=1S/C22H17BrN3O3P/c23-20-9-5-4-8-19(20)21(27)25-16-10-12-17(13-11-16)26-15-14-24-22(26)30(28,29)18-6-2-1-3-7-18/h1-15H,(H,25,27)(H,28,29)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM33097
PNG
(3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C18H15N5O5S2/c1-10(24)27-8-4-7-19-12-9-14(15-16(22-28-21-15)17(12)23(25)26)30-18-20-11-5-2-3-6-13(11)29-18/h2-3,5-6,9,19H,4,7-8H2,1H3
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM46608
PNG
((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...)
Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM41057
PNG
(MLS000544577 | N'-{2-(1-azepanyl)-5-nitrobenzy...)
Show SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c([CH+][N-]NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c1
Show InChI InChI=1S/C28H27N5O4/c34-27(19-32-25-11-5-3-9-22(25)28(35)23-10-4-6-12-26(23)32)30-29-18-20-17-21(33(36)37)13-14-24(20)31-15-7-1-2-8-16-31/h3-6,9-14,17-18H,1-2,7-8,15-16,19H2,(H,30,34)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM40728
PNG
(2-[2-oxidanylidene-2-[2-[(Z)-(3-oxidanyl-4-oxidany...)
Show SMILES Oc1ccc(C=NNC(=O)COc2ccccc2C(=O)NN=Cc2ccc(O)c(O)c2)cc1O |w:21.21,6.6|
Show InChI InChI=1S/C23H20N4O7/c28-17-7-5-14(9-19(17)30)11-24-26-22(32)13-34-21-4-2-1-3-16(21)23(33)27-25-12-15-6-8-18(29)20(31)10-15/h1-12,28-31H,13H2,(H,26,32)(H,27,33)
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n/an/an/an/a 2.28E+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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM43064
PNG
((5Z)-2-amino-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-ph...)
Show SMILES CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
Show InChI InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM45025
PNG
(1,6,6-triphenyl-3-(p-tolyl)-3-azabicyclo[3.1.0]hex...)
Show SMILES Cc1ccc(cc1)N1C(=O)C2C(C1=O)(c1ccccc1)C2(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H23NO2/c1-21-17-19-25(20-18-21)31-27(32)26-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)30(26,28(31)33)24-15-9-4-10-16-24/h2-20,26H,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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47732
PNG
(2,6,7-trihydroxy-9-o-phenetyl-fluorone | 9-(2-etho...)
Show SMILES CCOc1ccccc1-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(13.35,3.58,;13.35,2.04,;12.01,1.27,;10.68,2.04,;10.68,3.58,;9.35,4.35,;8.01,3.58,;8.01,2.04,;9.35,1.27,;9.35,-.27,;10.68,-1.04,;12.06,-.22,;13.45,-1.01,;14.78,-.24,;13.45,-2.62,;14.78,-3.39,;12.06,-3.41,;10.68,-2.58,;9.35,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,)|
Show InChI InChI=1S/C21H16O6/c1-2-26-18-6-4-3-5-11(18)21-12-7-14(22)16(24)9-19(12)27-20-10-17(25)15(23)8-13(20)21/h3-10,22-24H,2H2,1H3
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n/an/an/an/a 7.24E+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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47733
PNG
(4-(5-Phenoxymethyl-4-phenyl-4H-[1,2,4]triazol-3-yl...)
Show SMILES O=c1cc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)c2ccccc2[nH]1
Show InChI InChI=1S/C25H20N4O2S/c30-24-15-18(21-13-7-8-14-22(21)26-24)17-32-25-28-27-23(16-31-20-11-5-2-6-12-20)29(25)19-9-3-1-4-10-19/h1-15H,16-17H2,(H,26,30)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47735
PNG
(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)
Show SMILES CC(NC(=O)c1sc2cc(ccc2c1Cl)[N+]([O-])=O)C(C)(C)C
Show InChI InChI=1S/C15H17ClN2O3S/c1-8(15(2,3)4)17-14(19)13-12(16)10-6-5-9(18(20)21)7-11(10)22-13/h5-8H,1-4H3,(H,17,19)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47737
PNG
(3-methyl-4-(4-methylphenyl)-1H-1,2,4-triazole-5-th...)
Show SMILES Cc1n[nH]c(=S)n1-c1ccc(C)cc1
Show InChI InChI=1S/C10H11N3S/c1-7-3-5-9(6-4-7)13-8(2)11-12-10(13)14/h3-6H,1-2H3,(H,12,14)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47738
PNG
(2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-...)
Show SMILES O=C(Cn1cnc2n(ncc2c1=O)-c1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H22N6O5S/c30-21(26-17-6-8-19(9-7-17)35(32,33)28-10-12-34-13-11-28)15-27-16-24-22-20(23(27)31)14-25-29(22)18-4-2-1-3-5-18/h1-9,14,16H,10-13,15H2,(H,26,30)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 7


(Homo sapiens (Human))
BDBM47742
PNG
(MLS000585978 | N-[1-(cyclopentylcarbamoyl)cyclohex...)
Show SMILES O=C(NC1CCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C23H29N3O3S/c27-20-11-10-17(15-24-20)21(28)26(16-19-9-6-14-30-19)23(12-4-1-5-13-23)22(29)25-18-7-2-3-8-18/h6,9-11,14-15,18H,1-5,7-8,12-13,16H2,(H,24,27)(H,25,29)
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
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