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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'   
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
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/an/an/a 1.03E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2M61HV2
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/an/an/a 1.11E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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/an/an/a 1.14E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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/an/an/a 1.17E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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/an/an/a 1.90E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96792
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl...)
Show SMILES CCOc1cccc(c1)-c1c(nnn1-c1nonc1N)C(=O)N\N=C\c1ccc(C)o1
Show InChI InChI=1S/C19H18N8O4/c1-3-29-13-6-4-5-12(9-13)16-15(22-26-27(16)18-17(20)24-31-25-18)19(28)23-21-10-14-8-7-11(2)30-14/h4-10H,3H2,1-2H3,(H2,20,24)(H,23,28)/b21-10+
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n/an/an/an/a 1.94E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96744
PNG
(2-(4-chlorophenoxy)ethyl-phenethyl-amine;oxalic ac...)
Show SMILES Clc1ccc(OCCNCCc2ccccc2)cc1
Show InChI InChI=1S/C16H18ClNO/c17-15-6-8-16(9-7-15)19-13-12-18-11-10-14-4-2-1-3-5-14/h1-9,18H,10-13H2
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n/an/an/an/a 2.19E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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/an/an/a 2.22E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96755
PNG
(7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quin...)
Show SMILES Cc1cccc(CCNCc2cc3ccc(C)cc3[nH]c2=O)c1
Show InChI InChI=1S/C20H22N2O/c1-14-4-3-5-16(10-14)8-9-21-13-18-12-17-7-6-15(2)11-19(17)22-20(18)23/h3-7,10-12,21H,8-9,13H2,1-2H3,(H,22,23)
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n/an/an/an/a 2.49E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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/an/an/a 2.61E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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/an/an/a>2.98E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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/an/an/a>2.99E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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/an/an/a>2.99E+4n/an/an/an/a



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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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BindingDB Entry DOI: 10.7270/Q2CN72J7
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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BindingDB Entry DOI: 10.7270/Q2CN72J7
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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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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BindingDB Entry DOI: 10.7270/Q2CN72J7
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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BindingDB Entry DOI: 10.7270/Q2CN72J7
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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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96746
PNG
(2-(2-phenylethylcarbamoyl)bicyclo[2.2.1]heptane-3-...)
Show SMILES OC(=O)C1C2CCC(C2)C1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H21NO3/c19-16(18-9-8-11-4-2-1-3-5-11)14-12-6-7-13(10-12)15(14)17(20)21/h1-5,12-15H,6-10H2,(H,18,19)(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM41147
PNG
(2-(2-fluorophenyl)-N-[(1-methyl-2-pyrrolyl)methyl]...)
Show SMILES Cn1cccc1CNCCc1ccccc1F
Show InChI InChI=1S/C14H17FN2/c1-17-10-4-6-13(17)11-16-9-8-12-5-2-3-7-14(12)15/h2-7,10,16H,8-9,11H2,1H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96709
PNG
((phenylmethyl) N'-(propan-2-ylideneamino)carbamimi...)
Show SMILES CC(C)=NN=C(N)SCc1ccccc1
Show InChI InChI=1S/C11H15N3S/c1-9(2)13-14-11(12)15-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,12,14)
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96679
PNG
((E)-4-keto-4-(3-phenylpropylamino)but-2-enoic acid...)
Show SMILES OC(=O)\C=C\C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C13H15NO3/c15-12(8-9-13(16)17)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,14,15)(H,16,17)/b9-8+
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96726
PNG
(1-(aminomethyl)-2-naphthalenol | 1-(aminomethyl)-2...)
Show SMILES NCc1c(O)ccc2ccccc12
Show InChI InChI=1S/C11H11NO/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-6,13H,7,12H2
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96723
PNG
((E)-1,4-bis(3,4-dihydro-1H-isoquinolin-2-yl)-2-but...)
Show SMILES O=C(\C=C\C(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1
Show InChI InChI=1S/C22H22N2O2/c25-21(23-13-11-17-5-1-3-7-19(17)15-23)9-10-22(26)24-14-12-18-6-2-4-8-20(18)16-24/h1-10H,11-16H2/b10-9+
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96706
PNG
(5-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-N...)
Show SMILES Cc1cc(c(C)n1CC1CCCO1)C1=NN=C(NCCc2ccccc2)SC1
Show InChI InChI=1S/C22H28N4OS/c1-16-13-20(17(2)26(16)14-19-9-6-12-27-19)21-15-28-22(25-24-21)23-11-10-18-7-4-3-5-8-18/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96732
PNG
((4-methoxyphenyl) N-(2-phenylethyl)carbamate | 4-m...)
Show SMILES COc1ccc(OC(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C16H17NO3/c1-19-14-7-9-15(10-8-14)20-16(18)17-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,17,18)
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96710
PNG
(1-phenylethyl(2-thiazolin-2-yl)amine | MLS00076024...)
Show SMILES CC(N=C1NCCS1)c1ccccc1
Show InChI InChI=1S/C11H14N2S/c1-9(10-5-3-2-4-6-10)13-11-12-7-8-14-11/h2-6,9H,7-8H2,1H3,(H,12,13)
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96930
PNG
(2-[(4S,5R)-5-(2-bromophenyl)-4-methyl-4,5,7,8-tetr...)
Show SMILES COC(=O)Cc1nnn2CCO[C@H]([C@@H](C)c12)c1ccccc1Br
Show InChI InChI=1S/C16H18BrN3O3/c1-10-15-13(9-14(21)22-2)18-19-20(15)7-8-23-16(10)11-5-3-4-6-12(11)17/h3-6,10,16H,7-9H2,1-2H3/t10-,16+/m0/s1
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2M61HV2
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM63039
PNG
(2-[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)p...)
Show SMILES Cc1coc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H12ClF3N4O2S/c1-10-8-29-18(25-10)27-16(28)9-30-17-13(7-24)14(19(21,22)23)6-15(26-17)11-2-4-12(20)5-3-11/h2-6,8H,9H2,1H3,(H,25,27,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2M61HV2
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96852
PNG
(MLS003673529 | N-[2-[5-[2-(1,3-benzodioxol-5-yl)-1...)
Show SMILES CN(CCc1ccccc1)C(C(=O)c1ccc2OCOc2c1)c1nnnn1-c1ccccc1NC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H32N6O5/c1-30(2,3)41-29(38)31-22-12-8-9-13-23(22)36-28(32-33-34-36)26(35(4)17-16-20-10-6-5-7-11-20)27(37)21-14-15-24-25(18-21)40-19-39-24/h5-15,18,26H,16-17,19H2,1-4H3,(H,31,38)
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96868
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclop...)
Show SMILES Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)C1CCCC1
Show InChI InChI=1S/C27H33ClN4O3/c28-22-11-4-3-8-20(22)13-15-30-26(34)24-12-6-16-32(24)27(35)23(17-19-7-5-14-29-18-19)31-25(33)21-9-1-2-10-21/h3-5,7-8,11,14,18,21,23-24H,1-2,6,9-10,12-13,15-17H2,(H,30,34)(H,31,33)/t23-,24-/m0/s1
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96866
PNG
((2S)-1-[(2S)-2-[[2,4-bis(fluoranyl)phenyl]sulfonyl...)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C27H26ClF2N3O4S/c28-21-10-5-4-7-18(21)14-15-31-26(34)23-11-6-16-33(23)27(35)25(19-8-2-1-3-9-19)32-38(36,37)24-13-12-20(29)17-22(24)30/h1-5,7-10,12-13,17,23,25,32H,6,11,14-16H2,(H,31,34)/t23-,25-/m0/s1
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96712
PNG
(3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-4,5-di...)
Show SMILES Fc1cccc(c1)C1=NOC(C1)C(=O)NCCc1cccs1
Show InChI InChI=1S/C16H15FN2O2S/c17-12-4-1-3-11(9-12)14-10-15(21-19-14)16(20)18-7-6-13-5-2-8-22-13/h1-5,8-9,15H,6-7,10H2,(H,18,20)
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM75133
PNG
(2-[2-(4-fluorophenyl)ethylcarbamoyl]bicyclo[2.2.1]...)
Show SMILES OC(=O)C1C2CCC(C2)C1C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C17H20FNO3/c18-13-5-1-10(2-6-13)7-8-19-16(20)14-11-3-4-12(9-11)15(14)17(21)22/h1-2,5-6,11-12,14-15H,3-4,7-9H2,(H,19,20)(H,21,22)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96918
PNG
(3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanam...)
Show SMILES Fc1cccc(CSCCC(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C18H20FNOS/c19-17-8-4-7-16(13-17)14-22-12-10-18(21)20-11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2M61HV2
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96882
PNG
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclop...)
Show SMILES CC(C)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl
Show InChI InChI=1S/C24H34ClN3O3/c1-16(2)21(27-22(29)18-9-3-4-10-18)24(31)28-15-7-12-20(28)23(30)26-14-13-17-8-5-6-11-19(17)25/h5-6,8,11,16,18,20-21H,3-4,7,9-10,12-15H2,1-2H3,(H,26,30)(H,27,29)/t20-,21-/m0/s1
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
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