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PubChem AID 686983

Compile Data Set for Download or QSAR

Found 415 hits of Enzyme Inhibition Constant Data   
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))
BDBM96553
PNG
(3-(3-Phenyl-pyrrolidin-1-yl)-1-thiophen-2-yl-propa...)
Show SMILES O=C(CCN1CCC(C1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C17H19NOS/c19-16(17-7-4-12-20-17)9-11-18-10-8-15(13-18)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
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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))
BDBM49184
PNG
((4-aminoquinazolin-2-yl)-(3-fluorophenyl)amine;hyd...)
Show SMILES Nc1nc(Nc2cccc(F)c2)nc2ccccc12
Show InChI InChI=1S/C14H11FN4/c15-9-4-3-5-10(8-9)17-14-18-12-7-2-1-6-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19)
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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))
BDBM96565
PNG
(MLS000097997 | N-(3,4-dihydro-1H-isoquinolin-2-ylm...)
Show SMILES O=C(NCN1CCc2ccccc2C1)c1cnccn1
Show InChI InChI=1S/C15H16N4O/c20-15(14-9-16-6-7-17-14)18-11-19-8-5-12-3-1-2-4-13(12)10-19/h1-4,6-7,9H,5,8,10-11H2,(H,18,20)
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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))
BDBM49232
PNG
(6-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,3]dioxolo[4...)
Show SMILES C1Oc2cc3nc(sc3cc2O1)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H14N2O2S/c1-2-4-12-9-19(6-5-11(12)3-1)17-18-13-7-14-15(21-10-20-14)8-16(13)22-17/h1-4,7-8H,5-6,9-10H2
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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))
BDBM96567
PNG
(6-(1,3-benzodioxol-5-ylamino)-3-(4-bromophenyl)-1H...)
Show SMILES Brc1ccc(cc1)-n1c(=O)cc(Nc2ccc3OCOc3c2)[nH]c1=O
Show InChI InChI=1S/C17H12BrN3O4/c18-10-1-4-12(5-2-10)21-16(22)8-15(20-17(21)23)19-11-3-6-13-14(7-11)25-9-24-13/h1-8,19H,9H2,(H,20,23)
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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))
BDBM96569
PNG
(6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methylphe...)
Show SMILES Cc1ccccc1-n1c(=O)cc([nH]c1=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H19N3O2/c1-14-6-2-5-9-17(14)23-19(24)12-18(21-20(23)25)22-11-10-15-7-3-4-8-16(15)13-22/h2-9,12H,10-11,13H2,1H3,(H,21,25)
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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))
BDBM96570
PNG
(2-oxo-3-[(2-phenylethyl)amino]-2,5,6,7-tetrahydro-...)
Show SMILES O=C1NCCCC(C#N)C1=NCCc1ccccc1
Show InChI InChI=1S/C15H17N3O/c16-11-13-7-4-9-18-15(19)14(13)17-10-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-10H2,(H,18,19)
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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))
BDBM96579
PNG
(2-({[2-(3-chlorophenyl)ethyl]amino}carbonyl)cycloh...)
Show SMILES OC(=O)C1CCCCC1C(=O)NCCc1cccc(Cl)c1
Show InChI InChI=1S/C16H20ClNO3/c17-12-5-3-4-11(10-12)8-9-18-15(19)13-6-1-2-7-14(13)16(20)21/h3-5,10,13-14H,1-2,6-9H2,(H,18,19)(H,20,21)
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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))
BDBM96583
PNG
(2-methyl-3-(2-phenylethylamino)-1-cyclopent-2-enon...)
Show SMILES CC1=C(CCC1=O)NCCc1ccccc1
Show InChI InChI=1S/C14H17NO/c1-11-13(7-8-14(11)16)15-10-9-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3
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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))
BDBM96584
PNG
(4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)me...)
Show SMILES Oc1ccc(C=NCC2COc3ccccc3O2)cc1
Show InChI InChI=1S/C16H15NO3/c18-13-7-5-12(6-8-13)9-17-10-14-11-19-15-3-1-2-4-16(15)20-14/h1-9,14,18H,10-11H2
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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))
BDBM59778
PNG
(3,4-Dimethyl-6-phenethylcarbamoyl-cyclohex-3-eneca...)
Show SMILES CC1=C(C)CC(C(C1)C(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H23NO3/c1-12-10-15(16(18(21)22)11-13(12)2)17(20)19-9-8-14-6-4-3-5-7-14/h3-7,15-16H,8-11H2,1-2H3,(H,19,20)(H,21,22)
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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))
BDBM96596
PNG
(2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol | 2...)
Show SMILES OCCNc1nc(Nc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H16N4O/c21-11-10-17-15-13-8-4-5-9-14(13)19-16(20-15)18-12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H2,17,18,19,20)
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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))
BDBM96599
PNG
(1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-(methylth...)
Show SMILES CSc1nc(nn1S(=O)(=O)c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O2S2/c1-22-15-17-14(11-7-9-12(16)10-8-11)18-19(15)23(20,21)13-5-3-2-4-6-13/h2-10H,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))
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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PubChem Bioassay (2013)


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


(Homo sapiens (Human))
BDBM96611
PNG
(4-[(2E)-2-benzylidenehydrazinyl]-5-chloro-1H-pyrid...)
Show SMILES Clc1c(cn[nH]c1=O)N=NCc1ccccc1
Show InChI InChI=1S/C11H9ClN4O/c12-10-9(7-14-16-11(10)17)15-13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)/b15-13+
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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))
BDBM89900
PNG
(1-Methyl-6-phenethyl-4-phenyl-3,4,6,7-tetrahydro-1...)
Show SMILES CN1C2=C(C(NC1=O)c1ccccc1)C(=O)N(CCc1ccccc1)C2
Show InChI InChI=1S/C21H21N3O2/c1-23-17-14-24(13-12-15-8-4-2-5-9-15)20(25)18(17)19(22-21(23)26)16-10-6-3-7-11-16/h2-11,19H,12-14H2,1H3,(H,22,26)
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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))
BDBM96615
PNG
(4-(4-hydroxyanilino)-4-keto-2-(phenethylamino)buty...)
Show SMILES OC(=O)C(CC(=O)Nc1ccc(O)cc1)NCCc1ccccc1
Show InChI InChI=1S/C18H20N2O4/c21-15-8-6-14(7-9-15)20-17(22)12-16(18(23)24)19-11-10-13-4-2-1-3-5-13/h1-9,16,19,21H,10-12H2,(H,20,22)(H,23,24)
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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))
BDBM96620
PNG
((3,5-Dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)...)
Show SMILES Oc1ccccc1C=NNC(=O)Cc1n[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C12H11N5O4/c18-9-4-2-1-3-7(9)6-13-16-10(19)5-8-11(20)14-12(21)17-15-8/h1-4,6,18H,5H2,(H,16,19)(H2,14,17,20,21)/b13-6+
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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))
BDBM96621
PNG
((3,5-Dioxo-2,3,4,5-tetrahydro-[1,2,4]triazin-6-yl)...)
Show SMILES O=C(Cc1n[nH]c(=O)[nH]c1=O)NN=Cc1ccccc1
Show InChI InChI=1S/C12H11N5O3/c18-10(6-9-11(19)14-12(20)17-15-9)16-13-7-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,18)(H2,14,17,19,20)/b13-7+
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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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BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96629
PNG
(2-(4-Chloro-phenyl)-1H-imidazo[4,5-c]pyridine | 2-...)
Show SMILES Clc1ccc(cc1)-c1nc2ccncc2[nH]1
Show InChI InChI=1S/C12H8ClN3/c13-9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-7H,(H,15,16)
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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))
BDBM50325537
PNG
(CHEMBL1224310 | CHEMBL1229095 | S-(2-Chlorobenzyl)...)
Show SMILES NC(=N)SCc1ccccc1Cl
Show InChI InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)
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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))
BDBM96661
PNG
(3-methylthiophene-2-carbaldehyde (5-chloro-6-oxo-1...)
Show SMILES Cc1ccsc1CN=Nc1cn[nH]c(=O)c1Cl
Show InChI InChI=1S/C10H9ClN4OS/c1-6-2-3-17-8(6)5-13-14-7-4-12-15-10(16)9(7)11/h2-4H,5H2,1H3,(H,15,16)/b14-13+
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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))
BDBM96663
PNG
(3-[1-(2-phenylethyl)-5-(2-thienyl)-1H-pyrrol-2-yl]...)
Show SMILES OC(=O)CCc1ccc(-c2cccs2)n1CCc1ccccc1
Show InChI InChI=1S/C19H19NO2S/c21-19(22)11-9-16-8-10-17(18-7-4-14-23-18)20(16)13-12-15-5-2-1-3-6-15/h1-8,10,14H,9,11-13H2,(H,21,22)
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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))
BDBM96671
PNG
((2-ethoxy-5-nitro-benzyl)-phenethyl-amine;hydrochl...)
Show SMILES CCOc1ccc(cc1CNCCc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N2O3/c1-2-22-17-9-8-16(19(20)21)12-15(17)13-18-11-10-14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3
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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))
BDBM50136861
PNG
((E)-3-Phenethylcarbamoyl-acrylic acid | CHEMBL1526...)
Show SMILES OC(=O)\C=C\C(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)/b7-6+
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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))
BDBM96694
PNG
(MLS000419634 | N'-[(3-besyloxazolidin-2-yl)methyl]...)
Show SMILES O=C(NCCc1ccccc1)C(=O)NCC1OCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O5S/c24-19(21-12-11-16-7-3-1-4-8-16)20(25)22-15-18-23(13-14-28-18)29(26,27)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,24)(H,22,25)
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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))
BDBM96703
PNG
(MLS000770180 | N-[(E)-[2-(1H-imidazol-2-yl)-1-phen...)
Show SMILES C(C(N=Nc1ccccc1)c1ccccc1)c1ncc[nH]1
Show InChI InChI=1S/C17H16N4/c1-3-7-14(8-4-1)16(13-17-18-11-12-19-17)21-20-15-9-5-2-6-10-15/h1-12,16H,13H2,(H,18,19)/b21-20+
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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))
BDBM96721
PNG
(1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazin...)
Show SMILES Cc1ccc(cc1)N1CN(CCc2ccccc2)CNC1=S
Show InChI InChI=1S/C18H21N3S/c1-15-7-9-17(10-8-15)21-14-20(13-19-18(21)22)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,22)
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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))
BDBM96727
PNG
(1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-phenylethy...)
Show SMILES C(Cn1nnnc1C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1cccs1)c1ccccc1
Show InChI InChI=1S/C26H28N6O2S/c1-2-5-20(6-3-1)10-11-32-26(27-28-29-32)25(24-7-4-16-35-24)31-14-12-30(13-15-31)18-21-8-9-22-23(17-21)34-19-33-22/h1-9,16-17,25H,10-15,18-19H2
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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))
BDBM96739
PNG
(3-[2-(4-chlorophenyl)ethanoylamino]-3-[4-[2-(2-flu...)
Show SMILES NC(=O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCCc2ccccc2F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H24ClFN4O4/c26-19-8-5-16(6-9-19)13-25(33)30-22(15-24(28)32)18-7-10-21(23(14-18)31(34)35)29-12-11-17-3-1-2-4-20(17)27/h1-10,14,22,29H,11-13,15H2,(H2,28,32)(H,30,33)
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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))
BDBM96748
PNG
((4-aminoquinazolin-2-yl)-(3,4-dimethylphenyl)amine...)
Show SMILES Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1C
Show InChI InChI=1S/C16H16N4/c1-10-7-8-12(9-11(10)2)18-16-19-14-6-4-3-5-13(14)15(17)20-16/h3-9H,1-2H3,(H3,17,18,19,20)
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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))
BDBM96753
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methox...)
Show SMILES COc1cc(CN2CCc3ccccc3C2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O4/c1-23-16-9-12(8-15(17(16)20)19(21)22)10-18-7-6-13-4-2-3-5-14(13)11-18/h2-5,8-9,20H,6-7,10-11H2,1H3
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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))
BDBM96756
PNG
(2-(4-Nitro-imidazol-1-yl)-N-phenethyl-acetamide | ...)
Show SMILES [O-][N+](=O)c1cn(CC(=O)NCCc2ccccc2)cn1
Show InChI InChI=1S/C13H14N4O3/c18-13(9-16-8-12(15-10-16)17(19)20)14-7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,14,18)
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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))
BDBM96758
PNG
((6E)-6-[[(2-methyl-4-quinolinyl)hydrazo]methyliden...)
Show SMILES Cc1cc(N=NCc2ccccc2O)c2ccccc2n1
Show InChI InChI=1S/C17H15N3O/c1-12-10-16(14-7-3-4-8-15(14)19-12)20-18-11-13-6-2-5-9-17(13)21/h2-10,21H,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))
BDBM96768
PNG
(4-[(2-phenylethylamino)methylidene]-1-cyclohexa-2,...)
Show SMILES Oc1ccc(C=NCCc2ccccc2)cc1
Show InChI InChI=1S/C15H15NO/c17-15-8-6-14(7-9-15)12-16-11-10-13-4-2-1-3-5-13/h1-9,12,17H,10-11H2
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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))
BDBM96788
PNG
(3-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfony...)
Show SMILES Cc1cc2NC(=O)COc2cc1S(=O)(=O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H22N2O5S/c1-14-11-16-17(27-13-20(24)22-16)12-18(14)28(25,26)10-8-19(23)21-9-7-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)(H,22,24)
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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))
BDBM96789
PNG
(MLS001082849 | N-[2-(2-chlorophenyl)ethyl]-2-[3-ke...)
Show SMILES Clc1ccccc1CCNC(=O)CC1N(CCCc2ccccc2)CCNC1=O
Show InChI InChI=1S/C23H28ClN3O2/c24-20-11-5-4-10-19(20)12-13-25-22(28)17-21-23(29)26-14-16-27(21)15-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,21H,6,9,12-17H2,(H,25,28)(H,26,29)
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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))
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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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))
BDBM96793
PNG
((1-methyl-2-phenylethyl)formamide | MLS001074351 |...)
Show SMILES CC(Cc1ccccc1)NC=O
Show InChI InChI=1S/C10H13NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(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))
BDBM96799
PNG
(2-[(7-chloro-1,1-diketo-4H-1,2,4-benzothiadiazin-3...)
Show SMILES Clc1ccc2N=C(NS(=O)(=O)c2c1)SCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H16ClN3O3S2/c18-13-6-7-14-15(10-13)26(23,24)21-17(20-14)25-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(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/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96802
PNG
(4-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-4-yl)ben...)
Show SMILES Oc1ccc(cc1O)C1CNCc2sccc12
Show InChI InChI=1S/C13H13NO2S/c15-11-2-1-8(5-12(11)16)10-6-14-7-13-9(10)3-4-17-13/h1-5,10,14-16H,6-7H2
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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))
BDBM96804
PNG
(2-(2-fluorophenyl)acetic acid [2-keto-2-(phenethyl...)
Show SMILES Fc1ccccc1CC(=O)OCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H18FNO3/c19-16-9-5-4-8-15(16)12-18(22)23-13-17(21)20-11-10-14-6-2-1-3-7-14/h1-9H,10-13H2,(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/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96810
PNG
((2-anilino-6-methyl-pyrimidin-4-yl)-dimethyl-amine...)
Show SMILES CN(C)c1cc(C)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C13H16N4/c1-10-9-12(17(2)3)16-13(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16)
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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))
BDBM96814
PNG
(2-[(2-fluorobenzoyl)amino]acetic acid [2-(1H-indol...)
Show SMILES Fc1ccccc1C(=O)NCC(=O)OCC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H15FN2O4/c20-15-7-3-1-6-13(15)19(25)22-10-18(24)26-11-17(23)14-9-21-16-8-4-2-5-12(14)16/h1-9,21H,10-11H2,(H,22,25)
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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))
BDBM96817
PNG
(3-({[1-(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-propy...)
Show SMILES CCC(N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O)c1nnnn1Cc1ccco1
Show InChI InChI=1S/C28H30N6O2/c1-3-26(27-30-31-32-34(27)19-24-10-7-15-36-24)33(14-13-21-8-5-4-6-9-21)18-23-17-22-16-20(2)11-12-25(22)29-28(23)35/h4-12,15-17,26H,3,13-14,18-19H2,1-2H3,(H,29,35)
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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))
BDBM96821
PNG
(1,3-dimethyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazi...)
Show SMILES CC1NC(C)c2c(O1)ccc1ccccc21
Show InChI InChI=1S/C14H15NO/c1-9-14-12-6-4-3-5-11(12)7-8-13(14)16-10(2)15-9/h3-10,15H,1-2H3
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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))
BDBM96826
PNG
(3,5-bis(2-phenylethyl)-1,3,5-thiadiazinane-2-thion...)
Show SMILES S=C1SCN(CCc2ccccc2)CN1CCc1ccccc1
Show InChI InChI=1S/C19H22N2S2/c22-19-21(14-12-18-9-5-2-6-10-18)15-20(16-23-19)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2
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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))
BDBM96827
PNG
((3E)-3-[1-(2-phenylethylamino)ethylidene]-2-oxolan...)
Show SMILES CC(NCCc1ccccc1)=C1CCOC1=O
Show InChI InChI=1S/C14H17NO2/c1-11(13-8-10-17-14(13)16)15-9-7-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3
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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))
BDBM96832
PNG
(MLS001029373 | N-[2-(2-chlorophenyl)ethyl]-3-(8-ke...)
Show SMILES Clc1ccccc1CCNC(=O)CCn1c(=S)[nH]c2cc3OCOc3cc2c1=O
Show InChI InChI=1S/C20H18ClN3O4S/c21-14-4-2-1-3-12(14)5-7-22-18(25)6-8-24-19(26)13-9-16-17(28-11-27-16)10-15(13)23-20(24)29/h1-4,9-10H,5-8,11H2,(H,22,25)(H,23,29)
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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
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* indicates data uncertainty>20%