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Compile Data Set for Download or QSAR

Found 910 hits Enz. Inhib. hit(s) with Target = 'G-protein subunit alpha-16' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96880
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C26H32ClN3O3/c1-17(2)23(29-24(31)20-11-6-4-9-18(20)3)26(33)30-16-8-13-22(30)25(32)28-15-14-19-10-5-7-12-21(19)27/h4-7,9-12,17,22-23H,8,13-16H2,1-3H3,(H,28,32)(H,29,31)/t22-,23-/m0/s1
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n/an/a>3.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96655
PNG
((6E)-4-chloranyl-6-[(2-phenylethylamino)methyliden...)
Show SMILES Oc1ccc(Cl)cc1C=NCCc1ccccc1
Show InChI InChI=1S/C15H14ClNO/c16-14-6-7-15(18)13(10-14)11-17-9-8-12-4-2-1-3-5-12/h1-7,10-11,18H,8-9H2
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n/an/a 9.79E+3n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM75479
PNG
(2-[(4-chlorobenzoyl)amino]phenyl 4-chlorobenzoate ...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccccc1OC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H13Cl2NO3/c21-15-9-5-13(6-10-15)19(24)23-17-3-1-2-4-18(17)26-20(25)14-7-11-16(22)12-8-14/h1-12H,(H,23,24)
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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96916
PNG
(MLS001000420 | N-(diphenylmethyl)-3-(2-ethoxyethox...)
Show SMILES CCOCCOc1cccc(c1)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO3/c1-2-27-16-17-28-22-15-9-14-21(18-22)24(26)25-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,18,23H,2,16-17H2,1H3,(H,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96619
PNG
(4-{[(isobutyrylamino)carbothioyl]amino}-N-(4-metho...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)cc1
Show InChI InChI=1S/C18H21N3O4S2/c1-12(2)17(22)20-18(26)19-13-6-10-16(11-7-13)27(23,24)21-14-4-8-15(25-3)9-5-14/h4-12,21H,1-3H3,(H2,19,20,22,26)
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n/an/a 1.15E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96856
PNG
(4-(2-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5...)
Show SMILES COc1ccccc1CCn1cnc(c1C(C)C)-c1ccccc1OC
Show InChI InChI=1S/C22H26N2O2/c1-16(2)22-21(18-10-6-8-12-20(18)26-4)23-15-24(22)14-13-17-9-5-7-11-19(17)25-3/h5-12,15-16H,13-14H2,1-4H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM70822
PNG
(1-[bis(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-i...)
Show SMILES OC(COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H25Cl2NO2/c26-22-9-5-19(6-10-22)25(20-7-11-23(27)12-8-20)30-17-24(29)16-28-14-13-18-3-1-2-4-21(18)15-28/h1-12,24-25,29H,13-17H2
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n/an/a 1.21E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM68155
PNG
(MLS001005764 | SMR000384079 | cid_16196355 | nitri...)
Show SMILES NC(N)=NN=Cc1cn(nc1-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C15H14N6S/c16-15(17)19-18-9-11-10-21(12-5-2-1-3-6-12)20-14(11)13-7-4-8-22-13/h1-10H,(H4,16,17,19)
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n/an/a 1.22E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96922
PNG
(MLS001138753 | N-[2-(3-fluoroanilino)-2-keto-ethyl...)
Show SMILES CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1OCC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F4N3O4/c1-32(14-22(33)30-19-9-5-7-17(26)13-19)24(35)20-10-2-3-11-21(20)36-15-23(34)31-18-8-4-6-16(12-18)25(27,28)29/h2-13H,14-15H2,1H3,(H,30,33)(H,31,34)
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n/an/a 1.35E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96649
PNG
(1-(2,6-dichlorophenoxy)-3-(1,2,3,4-tetrahydronapht...)
Show SMILES OC(CNC1CCCc2ccccc12)COc1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H21Cl2NO2/c20-16-8-4-9-17(21)19(16)24-12-14(23)11-22-18-10-3-6-13-5-1-2-7-15(13)18/h1-2,4-5,7-9,14,18,22-23H,3,6,10-12H2
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n/an/a 1.39E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96855
PNG
(4-(4-chlorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-...)
Show SMILES COc1ccccc1CCn1cnc(c1CC(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN2O/c1-16(2)14-20-22(18-8-10-19(23)11-9-18)24-15-25(20)13-12-17-6-4-5-7-21(17)26-3/h4-11,15-16H,12-14H2,1-3H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96623
PNG
(4-[(6-bromanyl-1H-benzimidazol-2-yl)amino]-N-(cycl...)
Show SMILES Brc1ccc2nc(Nc3ccc(cc3)C(=O)NCC3CC3)[nH]c2c1
Show InChI InChI=1S/C18H17BrN4O/c19-13-5-8-15-16(9-13)23-18(22-15)21-14-6-3-12(4-7-14)17(24)20-10-11-1-2-11/h3-9,11H,1-2,10H2,(H,20,24)(H2,21,22,23)
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n/an/a 1.45E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96848
PNG
(5-butyl-1-(3-fluorophenethyl)-4-(2-methoxyphenyl)-...)
Show SMILES CCCCc1c(ncn1CCc1cccc(F)c1)-c1ccccc1OC
Show InChI InChI=1S/C22H25FN2O/c1-3-4-11-20-22(19-10-5-6-12-21(19)26-2)24-16-25(20)14-13-17-8-7-9-18(23)15-17/h5-10,12,15-16H,3-4,11,13-14H2,1-2H3
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n/an/a 1.53E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96906
PNG
(MLS000553312 | N-Cyclohexyl-2-[1-(3,4-dichloro-phe...)
Show SMILES Cc1cc(C=NNC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N4O2/c1-14-10-16(15(2)28(14)18-8-9-19(23)20(24)11-18)13-25-27-22(30)12-21(29)26-17-6-4-3-5-7-17/h8-11,13,17H,3-7,12H2,1-2H3,(H,26,29)(H,27,30)
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n/an/a 1.53E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96929
PNG
((2S,6S)-6-(4-bromophenyl)-2-(4-chlorophenyl)-1-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(Br)cc1)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21BrClNO4S/c1-16-2-12-21(13-3-16)33(31,32)28-23(17-6-10-20(27)11-7-17)15-14-22(25(29)30)24(28)18-4-8-19(26)9-5-18/h2-14,23-24H,15H2,1H3,(H,29,30)/t23-,24-/m0/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96610
PNG
(5-[(2-fluorobenzyl)sulfonylmethyl]-N-phenethyl-2-f...)
Show SMILES Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H20FNO4S/c22-19-9-5-4-8-17(19)14-28(25,26)15-18-10-11-20(27-18)21(24)23-13-12-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,23,24)
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n/an/a 1.77E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96787
PNG
(2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]me...)
Show SMILES Cc1oc(nc1CS(=O)(=O)CC(=O)NCCc1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O4S/c1-15-19(24-21(28-15)17-9-5-6-10-18(17)22)13-29(26,27)14-20(25)23-12-11-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,25)
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n/an/a 1.83E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM78541
PNG
((4-methoxyphenyl)-(4-pyrrolidinoquinazolin-2-yl)am...)
Show SMILES COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H20N4O/c1-24-15-10-8-14(9-11-15)20-19-21-17-7-3-2-6-16(17)18(22-19)23-12-4-5-13-23/h2-3,6-11H,4-5,12-13H2,1H3,(H,20,21,22)
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n/an/a 1.97E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96779
PNG
(5-[(2-ethylphenyl)sulfonylmethyl]-N-(2-phenylethyl...)
Show SMILES CCc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H23NO4S/c1-2-18-10-6-7-11-21(18)28(25,26)16-19-12-13-20(27-19)22(24)23-15-14-17-8-4-3-5-9-17/h3-13H,2,14-16H2,1H3,(H,23,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96835
PNG
(4-(1-amino-2-phenylmethoxyethyl)-N-(6-methoxy-2-py...)
Show SMILES COc1cccc(Nc2nc(cs2)C(N)COCc2ccccc2)n1
Show InChI InChI=1S/C18H20N4O2S/c1-23-17-9-5-8-16(21-17)22-18-20-15(12-25-18)14(19)11-24-10-13-6-3-2-4-7-13/h2-9,12,14H,10-11,19H2,1H3,(H,20,21,22)
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n/an/a 2.19E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM76182
PNG
(1-(2-nitrophenyl)-3-[[(Z)-(3-oxidanyl-4-oxidanylid...)
Show SMILES Oc1c[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)ccc1=O
Show InChI InChI=1S/C14H11N4O4S/c19-12-6-5-9(7-13(12)20)8-15-17-14(23)16-10-3-1-2-4-11(10)18(21)22/h1-8,20H,(H2,16,17,23)/q-1/p+1
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n/an/a 2.35E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96598
PNG
(MLS000594426 | N-(2-phenylethyl)-5-(2-thienyl)-7-(...)
Show SMILES FC(F)(F)c1cc(nc2nc(nn12)C(=O)NCCc1ccccc1)-c1cccs1
Show InChI InChI=1S/C19H14F3N5OS/c20-19(21,22)15-11-13(14-7-4-10-29-14)24-18-25-16(26-27(15)18)17(28)23-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,23,28)
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n/an/a 2.41E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96857
PNG
(4-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-(...)
Show SMILES COc1ccccc1CCn1cnc(c1CC(C)C)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H25BrN2O/c1-16(2)14-20-22(18-8-10-19(23)11-9-18)24-15-25(20)13-12-17-6-4-5-7-21(17)26-3/h4-11,15-16H,12-14H2,1-3H3
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n/an/a 2.57E+4n/an/an/an/an/an/a



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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96853
PNG
((3S,4aS)-1-[2-(1-cyclohexenyl)ethyl]-3-[2-[2-(2-me...)
Show SMILES CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2
Show InChI InChI=1S/C31H42N2O5/c1-3-38-30(36)31-18-10-9-15-27(31)33(20-17-23-11-5-4-6-12-23)29(35)25(22-31)21-28(34)32-19-16-24-13-7-8-14-26(24)37-2/h7-8,11,13-15,25H,3-6,9-10,12,16-22H2,1-2H3,(H,32,34)/t25-,31+/m1/s1
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n/an/a 2.69E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96846
PNG
((3S,4aS)-1-benzyl-2-keto-3-[2-keto-2-[2-(2-methoxy...)
Show SMILES COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=CCCCC2
Show InChI InChI=1S/C30H36N2O5/c1-36-25-14-9-8-13-23(25)16-18-31-27(33)19-24-20-30(29(35)37-2)17-10-4-7-15-26(30)32(28(24)34)21-22-11-5-3-6-12-22/h3,5-6,8-9,11-15,24H,4,7,10,16-21H2,1-2H3,(H,31,33)/t24-,30+/m1/s1
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n/an/a 2.77E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96907
PNG
(MLS000332556 | N'-[1-(1H-Indol-3-yl)-meth-(E)-...)
Show SMILES CSC(=S)NN=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H11N3S2/c1-16-11(15)14-13-7-8-6-12-10-5-3-2-4-9(8)10/h2-7,12H,1H3,(H,14,15)/b13-7+
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n/an/a 2.81E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96618
PNG
(MLS000537230 | N-[[4-[(6-chloranylpyridin-3-yl)met...)
Show SMILES COc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(Cl)nc1
Show InChI InChI=1S/C22H22ClFN2O2/c1-27-21-12-16(13-25-11-10-18-4-2-3-5-19(18)24)6-8-20(21)28-15-17-7-9-22(23)26-14-17/h2-9,12,14,25H,10-11,13,15H2,1H3
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n/an/a 2.87E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96606
PNG
(1-(4-acetylphenyl)-3-phenyl-urea | 1-(4-acetylphen...)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O2/c1-11(18)12-7-9-14(10-8-12)17-15(19)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,19)
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n/an/a 2.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96818
PNG
(MLS002608065 | N-(2-phenylethoxy)-1-(3-pyridinyl)m...)
Show SMILES C(Cc1ccccc1)ON=Cc1cccnc1
Show InChI InChI=1S/C14H14N2O/c1-2-5-13(6-3-1)8-10-17-16-12-14-7-4-9-15-11-14/h1-7,9,11-12H,8,10H2
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n/an/a>2.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96745
PNG
(1,2-bis[(Z)-(4-fluorobenzylidene)amino]guanidine;h...)
Show SMILES NC(N=NCc1ccc(F)cc1)=NN=Cc1ccc(F)cc1
Show InChI InChI=1S/C15H13F2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-9H,10H2,(H2,18,21)
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96697
PNG
(3-anilino-1,2,4-triazin-5(4H)-one | 3-anilino-2H-1...)
Show SMILES O=c1cnnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C9H8N4O/c14-8-6-10-13-9(12-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96776
PNG
(4-nitro-5-[(E)-2-phenylethenyl]-1H-imidazole | 4-n...)
Show SMILES [O-][N+](=O)c1nc[nH]c1C=Cc1ccccc1
Show InChI InChI=1S/C11H9N3O2/c15-14(16)11-10(12-8-13-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,12,13)/b7-6+
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96622
PNG
(5-chloranyl-4-[(2Z)-2-[(3-methylphenyl)methylidene...)
Show SMILES Cc1cccc(CN=Nc2cn[nH]c(=O)c2Cl)c1
Show InChI InChI=1S/C12H11ClN4O/c1-8-3-2-4-9(5-8)6-14-16-10-7-15-17-12(18)11(10)13/h2-5,7H,6H2,1H3,(H,17,18)/b16-14+
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96743
PNG
(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyr...)
Show SMILES CC1CNCc2c1oc1ccccc21
Show InChI InChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96865
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(m-anis...)
Show SMILES COc1cccc(c1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C29H30ClN3O4/c1-37-23-13-7-12-22(19-23)27(34)32-26(21-10-3-2-4-11-21)29(36)33-18-8-15-25(33)28(35)31-17-16-20-9-5-6-14-24(20)30/h2-7,9-14,19,25-26H,8,15-18H2,1H3,(H,31,35)(H,32,34)/t25-,26-/m0/s1
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96877
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(o-tolu...)
Show SMILES Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C29H30ClN3O3/c1-20-10-5-7-14-23(20)27(34)32-26(22-12-3-2-4-13-22)29(36)33-19-9-16-25(33)28(35)31-18-17-21-11-6-8-15-24(21)30/h2-8,10-15,25-26H,9,16-19H2,1H3,(H,31,35)(H,32,34)/t25-,26-/m0/s1
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96559
PNG
(2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-...)
Show SMILES C1CN=C(N1)C1CCCc2ccccc12
Show InChI InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96851
PNG
(2-amino-5-isopropyl-N-(2-(thiophen-2-yl)ethyl)thio...)
Show SMILES CC(C)c1cc(C(=O)NCCc2cccs2)c(N)s1
Show InChI InChI=1S/C14H18N2OS2/c1-9(2)12-8-11(13(15)19-12)14(17)16-6-5-10-4-3-7-18-10/h3-4,7-9H,5-6,15H2,1-2H3,(H,16,17)
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96885
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-d...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C25H28Cl3N3O3/c1-15(2)22(30-23(32)17-9-10-19(27)20(28)14-17)25(34)31-13-5-8-21(31)24(33)29-12-11-16-6-3-4-7-18(16)26/h3-4,6-7,9-10,14-15,21-22H,5,8,11-13H2,1-2H3,(H,29,33)(H,30,32)/t21-,22-/m0/s1
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96807
PNG
(1-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-2-[4...)
Show SMILES Cc1cc(C(=O)CN2CCN(CC2)C2CCS(=O)(=O)C2)c(C)n1CCc1ccccc1
Show InChI InChI=1S/C24H33N3O3S/c1-19-16-23(20(2)27(19)10-8-21-6-4-3-5-7-21)24(28)17-25-11-13-26(14-12-25)22-9-15-31(29,30)18-22/h3-7,16,22H,8-15,17-18H2,1-2H3
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96828
PNG
((3E)-3-[1-[2-(4-hydroxyphenyl)ethylamino]ethyliden...)
Show SMILES CC(NCCc1ccc(O)cc1)=C1CCOC1=O
Show InChI InChI=1S/C14H17NO3/c1-10(13-7-9-18-14(13)17)15-8-6-11-2-4-12(16)5-3-11/h2-5,15-16H,6-9H2,1H3
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM65923
PNG
(1-(3-Fluoro-phenyl)-3-pyridin-3-yl-urea | 1-(3-flu...)
Show SMILES Fc1cccc(NC(=O)Nc2cccnc2)c1
Show InChI InChI=1S/C12H10FN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17)
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96659
PNG
(3-(2-hydroxy-3-methyl-phenyl)-N-phenethyl-3-phenyl...)
Show SMILES Cc1cccc(C(CC(=O)NCCc2ccccc2)c2ccccc2)c1O
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(24(18)27)22(20-12-6-3-7-13-20)17-23(26)25-16-15-19-10-4-2-5-11-19/h2-14,22,27H,15-17H2,1H3,(H,25,26)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM69223
PNG
(1-phenyl-3-(4-pyridyl)urea | 1-phenyl-3-pyridin-4-...)
Show SMILES O=C(Nc1ccccc1)Nc1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12(14-10-4-2-1-3-5-10)15-11-6-8-13-9-7-11/h1-9H,(H2,13,14,15,16)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96850
PNG
(2-amino-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-ben...)
Show SMILES Nc1sc2CCCCc2c1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H20N2OS/c18-16-15(13-8-4-5-9-14(13)21-16)17(20)19-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,18H2,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96785
PNG
(MLS001100781 | N-[2-(2-fluorophenyl)ethyl]-2-[3-ke...)
Show SMILES Fc1ccccc1CCNC(=O)CC1N(Cc2ccccn2)CCNC1=O
Show InChI InChI=1S/C20H23FN4O2/c21-17-7-2-1-5-15(17)8-10-23-19(26)13-18-20(27)24-11-12-25(18)14-16-6-3-4-9-22-16/h1-7,9,18H,8,10-14H2,(H,23,26)(H,24,27)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96700
PNG
(3-chloranyl-5-(2-phenylethylamino)-1,2-thiazole-4-...)
Show SMILES Clc1nsc(NCCc2ccccc2)c1C#N
Show InChI InChI=1S/C12H10ClN3S/c13-11-10(8-14)12(17-16-11)15-7-6-9-4-2-1-3-5-9/h1-5,15H,6-7H2
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96688
PNG
(2-(4-phenyl-1,3-thiazol-2-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C11H12N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96872
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-1-oxo-2-[...)
Show SMILES Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)c1cccs1
Show InChI InChI=1S/C26H27ClN4O3S/c27-20-8-2-1-7-19(20)11-13-29-24(32)22-9-4-14-31(22)26(34)21(16-18-6-3-12-28-17-18)30-25(33)23-10-5-15-35-23/h1-3,5-8,10,12,15,17,21-22H,4,9,11,13-14,16H2,(H,29,32)(H,30,33)/t21-,22-/m0/s1
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
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