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Compile Data Set for Download or QSAR

Found 234 hits Enz. Inhib. hit(s) with Target = 'RGS7'   
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
RGS7


(Homo sapiens)
BDBM62217
PNG
(2,4-dimethyl-6-[2-oxidanylidene-2-(4-phenylpiperaz...)
Show SMILES Cc1cc(C)c2c(ccn(CC(=O)N3CCN(CC3)c3ccccc3)c2=O)n1
Show InChI InChI=1S/C22H24N4O2/c1-16-14-17(2)23-19-8-9-26(22(28)21(16)19)15-20(27)25-12-10-24(11-13-25)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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
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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM47787
PNG
(1-(1-adamantyl)-3-(1,3-benzodioxol-5-ylmethyl)urea...)
Show SMILES O=C(NCc1ccc2OCOc2c1)NC12CC3CC(CC(C3)C1)C2
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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM34340
PNG
(2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1,2-b...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3
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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
RGS7


(Homo sapiens)
BDBM46590
PNG
(4-[2-[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1...)
Show SMILES NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N4O7S/c14-25(23,24)8-2-3-9(10(5-8)17(21)22)16-15-6-7-1-4-11(18)13(20)12(7)19/h1-5,18-20H,6H2,(H2,14,23,24)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM62209
PNG
(UNM-0000305796 | cid_18559023)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C25H23N3O4S/c26-21-20-19(18-6-3-11-32-18)17-8-7-14(12-15-4-1-9-30-15)22(17)28-25(20)33-23(21)24(29)27-13-16-5-2-10-31-16/h1,3-4,6,9,11-12,16H,2,5,7-8,10,13,26H2,(H,27,29)/b14-12-
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM43363
PNG
(2,5-bis(chloranyl)-3-piperidin-1-yl-6-(2-piperidin...)
Show SMILES ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O
Show InChI InChI=1S/C19H21Cl2N3O2S/c20-14-13(12-11-22-19(27-12)24-9-5-2-6-10-24)17(25)15(21)16(18(14)26)23-7-3-1-4-8-23/h11H,1-10H2
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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
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
RGS7


(Homo sapiens)
BDBM34702
PNG
((4E)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-1,3...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C12H13N3O3S/c1-7-6-19-12(13-2)15(7)14-5-8-3-4-9(16)11(18)10(8)17/h3-6,16-18H,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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM47815
PNG
(2-(4-Methoxy-phenyl)-[1,4]benzoquinone | 2-(4-meth...)
Show SMILES COc1ccc(cc1)C1=CC(=O)C=CC1=O
Show InChI InChI=1S/C13H10O3/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM33145
PNG
(3-[[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C18H21N3O6S/c1-3-21(4-2)28(26,27)14-7-5-6-12(10-14)18(25)20-19-11-13-8-9-15(22)17(24)16(13)23/h5-11,22-24H,3-4H2,1-2H3,(H,20,25)
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM34972
PNG
(MLS000759648 | N''-[(E)-(2,3-dihydroxy-4-oxo-1-cyc...)
Show SMILES Oc1ccc(C=NNC(=O)Cc2csc(n2)N2CCOCC2)c(O)c1O
Show InChI InChI=1S/C16H18N4O5S/c21-12-2-1-10(14(23)15(12)24)8-17-19-13(22)7-11-9-26-16(18-11)20-3-5-25-6-4-20/h1-2,8-9,21,23-24H,3-7H2,(H,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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM42257
PNG
(3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5,...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27?,33-,34+,35+,41+/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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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
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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM47828
PNG
(Chebulinic acid | MLS000697665 | SMR000445569 | ci...)
Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3C(COC(=O)c4cc(O)c(O)c(O)c4)O[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H](OC(=O)c4cc(O)c(O)c(OC1=O)c24)[C@H]3OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22?,24-,30-,31+,33-,34-,41-/m0/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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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
RGS7


(Homo sapiens)
BDBM43363
PNG
(2,5-bis(chloranyl)-3-piperidin-1-yl-6-(2-piperidin...)
Show SMILES ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O
Show InChI InChI=1S/C19H21Cl2N3O2S/c20-14-13(12-11-22-19(27-12)24-9-5-2-6-10-24)17(25)15(21)16(18(14)26)23-7-3-1-4-8-23/h11H,1-10H2
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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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM50292542
PNG
((1R,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydr...)
Show SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2
Show InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23-,27+/m1/s1
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n/an/an/an/a 1.15E+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
RGS7


(Homo sapiens)
BDBM47715
PNG
(DEFEROXAMINE | DEFEROXAMINE MESYLATE | MLS00002871...)
Show SMILES CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
Show InChI InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)
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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
RGS7


(Homo sapiens)
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
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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n/an/an/an/a 1.35E+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
RGS7


(Homo sapiens)
BDBM47816
PNG
(6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid...)
Show SMILES COCCCNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23
Show InChI InChI=1S/C19H16N2O4/c1-24-10-4-9-20-19(23)14-8-7-13-15-16(14)21-25-18(15)12-6-3-2-5-11(12)17(13)22/h2-3,5-8H,4,9-10H2,1H3,(H,20,23)
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n/an/an/an/a 1.74E+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
RGS7


(Homo sapiens)
BDBM47770
PNG
(4-[5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene...)
Show SMILES CC1(C)OC(=O)C(=Cc2ccc(o2)-c2ccc(cc2)S(N)(=O)=O)C(=O)O1
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 1.88E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM46590
PNG
(4-[2-[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1...)
Show SMILES NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N4O7S/c14-25(23,24)8-2-3-9(10(5-8)17(21)22)16-15-6-7-1-4-11(18)13(20)12(7)19/h1-5,18-20H,6H2,(H2,14,23,24)
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n/an/an/an/a 1.95E+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
RGS7


(Homo sapiens)
BDBM33024
PNG
(MLS000697664 | Punicalin | SMR000445568 | cid_5388...)
Show SMILES OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)OC2C(O)C1O
Show InChI InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2
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n/an/an/an/a 2.06E+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
RGS7


(Homo sapiens)
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
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 2.20E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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
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
RGS7


(Homo sapiens)
BDBM47827
PNG
(1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotrit...)
Show SMILES ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O
Show InChI InChI=1S/C27H48N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h40-42H,1-21H2,(H,28,34)(H,29,35)(H,30,36)
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n/an/an/an/a 2.36E+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
RGS7


(Homo sapiens)
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
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 3.57E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM32310
PNG
(MLS000390238 | SMR000259502 | cid_6311834)
Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C25H23N3O4S/c26-21-20-19(18-6-3-11-32-18)17-8-7-14(12-15-4-1-9-30-15)22(17)28-25(20)33-23(21)24(29)27-13-16-5-2-10-31-16/h1,3-4,6,9,11-12,16H,2,5,7-8,10,13,26H2,(H,27,29)/b14-12+
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n/an/an/an/a 3.66E+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
RGS7


(Homo sapiens)
BDBM33145
PNG
(3-[[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C18H21N3O6S/c1-3-21(4-2)28(26,27)14-7-5-6-12(10-14)18(25)20-19-11-13-8-9-15(22)17(24)16(13)23/h5-11,22-24H,3-4H2,1-2H3,(H,20,25)
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n/an/an/an/a 3.88E+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
RGS7


(Homo sapiens)
BDBM47823
PNG
(MLS000757112 | N-(2,5-dichloro-3,6-diketo-4-propio...)
Show SMILES CCC(=O)NC1=C(Cl)C(=O)C(NC(=O)CC)=C(Cl)C1=O
Show InChI InChI=1S/C12H12Cl2N2O4/c1-3-5(17)15-9-7(13)12(20)10(8(14)11(9)19)16-6(18)4-2/h3-4H2,1-2H3,(H,15,17)(H,16,18)
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n/an/an/an/a 3.91E+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
RGS7


(Homo sapiens)
BDBM34513
PNG
(MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...)
Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1
Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)
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n/an/an/an/a 4.06E+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
RGS7


(Homo sapiens)
BDBM43201
PNG
((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...)
Show SMILES CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,18?,19?,20-,26+,27-/m0/s1
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n/an/an/an/a 4.35E+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
RGS7


(Homo sapiens)
BDBM47734
PNG
(MLS000553854 | N-[(4-methylphenyl)-(5-nitro-8-oxid...)
Show SMILES CCC(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C20H19N3O4/c1-3-17(24)22-18(13-8-6-12(2)7-9-13)15-11-16(23(26)27)14-5-4-10-21-19(14)20(15)25/h4-11,18,25H,3H2,1-2H3,(H,22,24)
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n/an/an/an/a 4.41E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2416VG3
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM25469
PNG
(2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-o...)
Show SMILES [O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
Show InChI InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H
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n/an/an/an/a 4.78E+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
RGS7


(Homo sapiens)
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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n/an/an/an/a 4.80E+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
RGS7


(Homo sapiens)
BDBM47770
PNG
(4-[5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene...)
Show SMILES CC1(C)OC(=O)C(=Cc2ccc(o2)-c2ccc(cc2)S(N)(=O)=O)C(=O)O1
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 5.73E+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
RGS7


(Homo sapiens)
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
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
RGS7


(Homo sapiens)
BDBM34972
PNG
(MLS000759648 | N''-[(E)-(2,3-dihydroxy-4-oxo-1-cyc...)
Show SMILES Oc1ccc(C=NNC(=O)Cc2csc(n2)N2CCOCC2)c(O)c1O
Show InChI InChI=1S/C16H18N4O5S/c21-12-2-1-10(14(23)15(12)24)8-17-19-13(22)7-11-9-26-16(18-11)20-3-5-25-6-4-20/h1-2,8-9,21,23-24H,3-7H2,(H,19,22)
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n/an/an/an/a 9.02E+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
RGS7


(Homo sapiens)
BDBM47815
PNG
(2-(4-Methoxy-phenyl)-[1,4]benzoquinone | 2-(4-meth...)
Show SMILES COc1ccc(cc1)C1=CC(=O)C=CC1=O
Show InChI InChI=1S/C13H10O3/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,1H3
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n/an/an/an/a 9.59E+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
RGS7


(Homo sapiens)
BDBM34702
PNG
((4E)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-1,3...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C12H13N3O3S/c1-7-6-19-12(13-2)15(7)14-5-8-3-4-9(16)11(18)10(8)17/h3-6,16-18H,1-2H3
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n/an/an/an/a 1.03E+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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM47734
PNG
(MLS000553854 | N-[(4-methylphenyl)-(5-nitro-8-oxid...)
Show SMILES CCC(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C20H19N3O4/c1-3-17(24)22-18(13-8-6-12(2)7-9-13)15-11-16(23(26)27)14-5-4-10-21-19(14)20(15)25/h4-11,18,25H,3H2,1-2H3,(H,22,24)
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n/an/an/an/a 1.34E+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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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
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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n/an/an/an/a 1.40E+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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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
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 2.13E+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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
BDBM47717
PNG
(5-Ethylamino-anthra[1,9-cd]isoxazol-6-one | MLS000...)
Show SMILES CCNc1ccc2noc3-c4ccccc4C(=O)c1c23
Show InChI InChI=1S/C16H12N2O2/c1-2-17-11-7-8-12-14-13(11)15(19)9-5-3-4-6-10(9)16(14)20-18-12/h3-8,17H,2H2,1H3
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n/an/an/an/a 2.61E+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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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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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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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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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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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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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/Q2PV6HS7
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens)
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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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/Q2PV6HS7
More data for this
Ligand-Target Pair
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