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Compile Data Set for Download or QSAR

Found 91 hits of affinity data for UniProtKB/TrEMBL: Q62848   
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
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94663
PNG
((6Z)-6-[[5-(3-chlorophenyl)-2-furanyl]methylidene]...)
Show SMILES Clc1cccc(c1)-c1ccc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)o1
Show InChI InChI=1S/C18H12ClN3O3/c1-10-7-16-21-18(23)14(17(20)22(16)25-10)9-13-5-6-15(24-13)11-3-2-4-12(19)8-11/h2-9,20H,1H2,(H,21,23)/b14-9-,20-17?
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n/an/a>2.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94657
PNG
(5-amino-N-(5-chloro-2-methoxy-phenyl)-1-[2-keto-2-...)
Show SMILES COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1
Show InChI InChI=1S/C19H19ClN6O4/c1-29-13-5-3-4-12(9-13)22-16(27)10-26-18(21)17(24-25-26)19(28)23-14-8-11(20)6-7-15(14)30-2/h3-9H,10,21H2,1-2H3,(H,22,27)(H,23,28)
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n/an/a 5.04E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM43208
PNG
(4-benzyl-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1...)
Show SMILES O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C24H19N3O4/c28-22(18-8-6-17(7-9-18)14-16-4-2-1-3-5-16)25-24-27-26-23(31-24)19-10-11-20-21(15-19)30-13-12-29-20/h1-11,15H,12-14H2,(H,25,27,28)
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n/an/a 7.92E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94686
PNG
(MLS000687260 | N'-[(E)-(4-benzoxybenzylidene)amino...)
Show SMILES O=C(NCc1ccncc1)C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H20N4O3/c27-21(24-14-18-10-12-23-13-11-18)22(28)26-25-15-17-6-8-20(9-7-17)29-16-19-4-2-1-3-5-19/h1-13,15H,14,16H2,(H,24,27)(H,26,28)/b25-15+
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94655
PNG
(2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-...)
Show SMILES CC1CN(CC(C)O1)C(=O)CSc1nc2ccc(C)cn2c(=O)n1
Show InChI InChI=1S/C16H20N4O3S/c1-10-4-5-13-17-15(18-16(22)20(13)6-10)24-9-14(21)19-7-11(2)23-12(3)8-19/h4-6,11-12H,7-9H2,1-3H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94665
PNG
(MLS001230224 | N-[(Z)-[4-methoxy-3-[(2,3,5,6-tetra...)
Show SMILES COc1ccc([CH+][N-]NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1COc1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C22H15F4N3O5/c1-33-18-7-2-12(10-27-28-22(30)13-3-5-15(6-4-13)29(31)32)8-14(18)11-34-21-19(25)16(23)9-17(24)20(21)26/h2-10H,11H2,1H3,(H,28,30)
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n/an/a 1.24E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM40968
PNG
(7-methyl-N-piperonyl-furo[2,3-b]quinoline-2-carbox...)
Show SMILES Cc1ccc2cc3cc(oc3nc2c1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C21H16N2O4/c1-12-2-4-14-8-15-9-19(27-21(15)23-16(14)6-12)20(24)22-10-13-3-5-17-18(7-13)26-11-25-17/h2-9H,10-11H2,1H3,(H,22,24)
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n/an/a 1.67E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94683
PNG
(MLS000698868 | N-(4-aminocarbonylphenyl)-5-[(4-met...)
Show SMILES Cc1ccc(OCc2ccc(o2)C(=O)Nc2ccc(cc2)C(N)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O6/c1-12-2-8-17(16(10-12)23(26)27)28-11-15-7-9-18(29-15)20(25)22-14-5-3-13(4-6-14)19(21)24/h2-10H,11H2,1H3,(H2,21,24)(H,22,25)
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n/an/a 1.67E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94681
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[1-(2,4-di...)
Show SMILES COc1ccc(c(OC)c1)-n1nnnc1SCC(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H18N4O5S/c1-25-13-4-5-14(17(10-13)26-2)23-19(20-21-22-23)29-11-15(24)12-3-6-16-18(9-12)28-8-7-27-16/h3-6,9-10H,7-8,11H2,1-2H3
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n/an/a 1.77E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95208
PNG
(2-(5-amino-1-tetrazolyl)-N-[(E)-[5-(2,5-dimethyl-4...)
Show SMILES Cc1cc(c(C)cc1-c1ccc(\C=N\NC(=O)Cn2nnnc2N)o1)[N+]([O-])=O
Show InChI InChI=1S/C16H16N8O4/c1-9-6-13(24(26)27)10(2)5-12(9)14-4-3-11(28-14)7-18-19-15(25)8-23-16(17)20-21-22-23/h3-7H,8H2,1-2H3,(H,19,25)(H2,17,20,22)/b18-7+
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n/an/a 1.78E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM41086
PNG
(MLS000582064 | N-[3-chloranyl-4-(2-oxidanylidenech...)
Show SMILES Clc1cc(NC(=O)c2cccnc2)ccc1-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H13ClN2O3/c22-18-11-15(24-20(25)14-5-3-9-23-12-14)7-8-16(18)17-10-13-4-1-2-6-19(13)27-21(17)26/h1-12H,(H,24,25)
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n/an/a 1.79E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95242
PNG
(MLS003123272 | N-[2-(dimethylamino)ethyl]-4-[3-(4-...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H27N5O2/c1-33(2)17-16-30-29(35)23-10-8-21(9-11-23)26-20-34-27(18-32-28(34)19-31-26)22-12-14-25(15-13-22)36-24-6-4-3-5-7-24/h3-15,18-20H,16-17H2,1-2H3,(H,30,35)
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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95229
PNG
(MLS001234985 | N-(3-chlorophenyl)-2-(7-methyl-4-ox...)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3)nc(=O)n2c1
Show InChI InChI=1S/C16H13ClN4O2S/c1-10-5-6-13-19-15(20-16(23)21(13)8-10)24-9-14(22)18-12-4-2-3-11(17)7-12/h2-8H,9H2,1H3,(H,18,22)
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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM67822
PNG
(1-[2-(2,4-dichlorophenoxy)ethyl]-3-methyl-1,3-dihy...)
Show SMILES Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C16H14Cl2N2O2/c1-19-13-4-2-3-5-14(13)20(16(19)21)8-9-22-15-7-6-11(17)10-12(15)18/h2-7,10H,8-9H2,1H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95203
PNG
((E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-N-thiazol...)
Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C\C(=O)Nc1nccs1)-c1ccccc1
Show InChI InChI=1S/C22H18N4OS/c1-16-7-9-17(10-8-16)21-18(11-12-20(27)24-22-23-13-14-28-22)15-26(25-21)19-5-3-2-4-6-19/h2-15H,1H3,(H,23,24,27)/b12-11+
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n/an/a 2.03E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94694
PNG
(1,3-benzodioxole-5-carboxylic acid [2-methoxy-4-[(...)
Show SMILES COc1cc(\C=N/NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H19N3O6/c1-14-3-5-17(12-24-14)22(27)26-25-11-15-4-7-19(20(9-15)29-2)32-23(28)16-6-8-18-21(10-16)31-13-30-18/h3-12H,13H2,1-2H3,(H,26,27)/b25-11-
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n/an/a 2.10E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM41188
PNG
(MLS000111800 | SMR000107719 | cid_2909321)
Show SMILES COc1ccc(cc1)-n1c2nncn2c2sc3CC(C)CCc3c2c1=O
Show InChI InChI=1S/C19H18N4O2S/c1-11-3-8-14-15(9-11)26-18-16(14)17(24)23(19-21-20-10-22(18)19)12-4-6-13(25-2)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 2.31E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94689
PNG
(2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-...)
Show SMILES Cc1ccc2nc(SCC(=O)N3CCCCCC3)nc(=O)n2c1
Show InChI InChI=1S/C16H20N4O2S/c1-12-6-7-13-17-15(18-16(22)20(13)10-12)23-11-14(21)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3
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n/an/a 2.31E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM88864
PNG
(2-(2,4-Dichloro-benzylsulfanyl)-6,7,8,9-tetrahydro...)
Show SMILES Nc1nc(SCc2ccc(Cl)cc2Cl)nc2nc3CCCCc3cc12
Show InChI InChI=1S/C18H16Cl2N4S/c19-12-6-5-11(14(20)8-12)9-25-18-23-16(21)13-7-10-3-1-2-4-15(10)22-17(13)24-18/h5-8H,1-4,9H2,(H2,21,22,23,24)
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n/an/a 2.38E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94700
PNG
(1,3-bis(o-anisylideneamino)urea | 1,3-bis[(2-metho...)
Show SMILES COc1ccccc1C=NNC(=O)NN=Cc1ccccc1OC
Show InChI InChI=1S/C17H18N4O3/c1-23-15-9-5-3-7-13(15)11-18-20-17(22)21-19-12-14-8-4-6-10-16(14)24-2/h3-12H,1-2H3,(H2,20,21,22)
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n/an/a 2.56E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94705
PNG
(2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-7-met...)
Show SMILES CC1CCN(CC1)C(=O)CSc1nc2ccc(C)cn2c(=O)n1
Show InChI InChI=1S/C16H20N4O2S/c1-11-5-7-19(8-6-11)14(21)10-23-15-17-13-4-3-12(2)9-20(13)16(22)18-15/h3-4,9,11H,5-8,10H2,1-2H3
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n/an/a 2.62E+4n/an/an/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94693
PNG
(2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-...)
Show SMILES Cc1ccc2nc(SCC(=O)N3CCC(Cc4ccccc4)CC3)nc(=O)n2c1
Show InChI InChI=1S/C22H24N4O2S/c1-16-7-8-19-23-21(24-22(28)26(19)14-16)29-15-20(27)25-11-9-18(10-12-25)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15H2,1H3
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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 (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95200
PNG
(2-[4-[(Z)-(2-amino-4-keto-2-thiazolin-5-ylidene)me...)
Show SMILES COc1cc(C=C2SC(N)=NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C20H19N3O4S/c1-12-3-6-14(7-4-12)22-18(24)11-27-15-8-5-13(9-16(15)26-2)10-17-19(25)23-20(21)28-17/h3-10H,11H2,1-2H3,(H,22,24)(H2,21,23,25)
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n/an/a 2.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95236
PNG
(1-methyl-3-indolecarboxylic acid [2-(3,5-dimethyl-...)
Show SMILES CC1CC(C)CN(C1)C(=O)COC(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C19H24N2O3/c1-13-8-14(2)10-21(9-13)18(22)12-24-19(23)16-11-20(3)17-7-5-4-6-15(16)17/h4-7,11,13-14H,8-10,12H2,1-3H3
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n/an/a 2.84E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94697
PNG
(2-(2-furanyl)-6-[2-oxo-2-(1-piperidinyl)ethoxy]-1-...)
Show SMILES O=C(COc1ccc2oc(cc(=O)c2c1)-c1ccco1)N1CCCCC1
Show InChI InChI=1S/C20H19NO5/c22-16-12-19(18-5-4-10-24-18)26-17-7-6-14(11-15(16)17)25-13-20(23)21-8-2-1-3-9-21/h4-7,10-12H,1-3,8-9,13H2
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n/an/a 2.85E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95211
PNG
(MLS000621169 | N-(2,3-dimethylphenyl)-2-(4-ketoben...)
Show SMILES Cc1cccc(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)c1C
Show InChI InChI=1S/C20H17N3O3/c1-12-6-5-8-15(13(12)2)22-17(24)10-23-11-21-18-14-7-3-4-9-16(14)26-19(18)20(23)25/h3-9,11H,10H2,1-2H3,(H,22,24)
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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 (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM55790
PNG
((E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pr...)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)\C=C\c1ccccc1
Show InChI InChI=1S/C17H13N3OS/c21-16(7-6-13-4-2-1-3-5-13)20-17-19-15(12-22-17)14-8-10-18-11-9-14/h1-12H,(H,19,20,21)/b7-6+
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n/an/a 2.88E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM54212
PNG
(MLS000326804 | N'-[(2,6-dichlorobenzyl)oxy]-N-...)
Show SMILES Clc1cccc(Cl)c1CON=CNc1ncnc2sccc12
Show InChI InChI=1S/C14H10Cl2N4OS/c15-11-2-1-3-12(16)10(11)6-21-20-8-18-13-9-4-5-22-14(9)19-7-17-13/h1-5,7-8H,6H2,(H,17,18,19,20)
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n/an/a 3.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95204
PNG
(4-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]benzoic...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccc(cc3)C(=O)OCC(=O)Nc3ccccc3OC(F)F)ccc12
Show InChI InChI=1S/C27H21F2NO7/c1-16-12-25(32)36-23-13-19(10-11-20(16)23)34-14-17-6-8-18(9-7-17)26(33)35-15-24(31)30-21-4-2-3-5-22(21)37-27(28)29/h2-13,27H,14-15H2,1H3,(H,30,31)
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n/an/a 3.13E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94669
PNG
(2-[(2-keto-2-piperidino-ethyl)thio]-7-methyl-pyrid...)
Show SMILES Cc1ccc2nc(SCC(=O)N3CCCCC3)nc(=O)n2c1
Show InChI InChI=1S/C15H18N4O2S/c1-11-5-6-12-16-14(17-15(21)19(12)9-11)22-10-13(20)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM67993
PNG
((Z)-3-(1,3-diphenyl-4-pyrazolyl)-N-(2-thiazolyl)-2...)
Show SMILES O=C(Nc1nccs1)\C=C/c1cn(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H16N4OS/c26-19(23-21-22-13-14-27-21)12-11-17-15-25(18-9-5-2-6-10-18)24-20(17)16-7-3-1-4-8-16/h1-15H,(H,22,23,26)/b12-11-
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n/an/a 3.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM48131
PNG
(1H-indazole-3-carboxylic acid [2-keto-2-(1,2,5-tri...)
Show SMILES Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1C
Show InChI InChI=1S/C17H17N3O3/c1-10-8-13(11(2)20(10)3)15(21)9-23-17(22)16-12-6-4-5-7-14(12)18-19-16/h4-8H,9H2,1-3H3,(H,18,19)
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n/an/a 3.24E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95241
PNG
(MLS001125783 | N-[2-methoxy-4-[2-(4-nitrophenoxy)e...)
Show SMILES COc1cc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)ccc1NC(=O)c1ccco1
Show InChI InChI=1S/C20H17N3O7/c1-28-18-11-13(4-9-16(18)22-20(25)17-3-2-10-29-17)21-19(24)12-30-15-7-5-14(6-8-15)23(26)27/h2-11H,12H2,1H3,(H,21,24)(H,22,25)
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n/an/a 3.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95224
PNG
(MLS001146387 | N-[(E)-[3-(4-bromobenzyl)-4-chloro-...)
Show SMILES Clc1c(\C=N\NC(=O)c2ccco2)sc(=O)n1Cc1ccc(Br)cc1
Show InChI InChI=1S/C16H11BrClN3O3S/c17-11-5-3-10(4-6-11)9-21-14(18)13(25-16(21)23)8-19-20-15(22)12-2-1-7-24-12/h1-8H,9H2,(H,20,22)/b19-8+
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n/an/a 3.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95225
PNG
(1-(3,4-dimethylphenyl)-3-[2-(4-nitrophenoxy)ethano...)
Show SMILES Cc1ccc(NC(=O)NNC(=O)COc2ccc(cc2)[N+]([O-])=O)cc1C
Show InChI InChI=1S/C17H18N4O5/c1-11-3-4-13(9-12(11)2)18-17(23)20-19-16(22)10-26-15-7-5-14(6-8-15)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)(H2,18,20,23)
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n/an/a 3.45E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94673
PNG
(5-bromanyl-N-(2-methoxy-5-nitro-phenyl)thiophene-2...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Br)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H9BrN2O4S/c1-19-9-3-2-7(15(17)18)6-8(9)14-12(16)10-4-5-11(13)20-10/h2-6H,1H3,(H,14,16)
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n/an/a 3.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94668
PNG
(4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)ben...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccnc1
Show InChI InChI=1S/C17H14N4O2S/c1-11(22)19-14-6-4-12(5-7-14)16(23)21-17-20-15(10-24-17)13-3-2-8-18-9-13/h2-10H,1H3,(H,19,22)(H,20,21,23)
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n/an/a 3.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM28655
PNG
(2-(5-butoxy-1-oxo-1,2-dihydroisoquinolin-2-yl)-N-(...)
Show SMILES CCCCOc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O
Show InChI InChI=1S/C23H24N2O5/c1-2-3-11-28-19-6-4-5-18-17(19)9-10-25(23(18)27)15-22(26)24-16-7-8-20-21(14-16)30-13-12-29-20/h4-10,14H,2-3,11-13,15H2,1H3,(H,24,26)
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n/an/a 3.68E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM34388
PNG
(MLS000085595 | N-[5-(4-chlorophenyl)-1,2,4-thiadia...)
Show SMILES Clc1ccc(cc1)-c1nc(NC(=O)CSc2nnnn2-c2ccccc2)ns1
Show InChI InChI=1S/C17H12ClN7OS2/c18-12-8-6-11(7-9-12)15-20-16(22-28-15)19-14(26)10-27-17-21-23-24-25(17)13-4-2-1-3-5-13/h1-9H,10H2,(H,19,22,26)
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n/an/a 3.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94706
PNG
(MLS000830253 | SMR000034292 | cid_658947)
Show SMILES COC(=O)CSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4CCCCCc4sc3n12
Show InChI InChI=1S/C22H22N4O4S2/c1-29-14-10-8-13(9-11-14)25-19(28)18-15-6-4-3-5-7-16(15)32-20(18)26-21(25)23-24-22(26)31-12-17(27)30-2/h8-11H,3-7,12H2,1-2H3
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n/an/a 3.81E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95214
PNG
(3-(2-Pyridin-3-yl-quinazolin-4-ylamino)-benzoic ac...)
Show SMILES COC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1
Show InChI InChI=1S/C21H16N4O2/c1-27-21(26)14-6-4-8-16(12-14)23-20-17-9-2-3-10-18(17)24-19(25-20)15-7-5-11-22-13-15/h2-13H,1H3,(H,23,24,25)
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n/an/a 3.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95217
PNG
(1-[2-(4-methoxyphenyl)-3,4-dimethyl-7-pyrazolo[3,4...)
Show SMILES COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H30N6O2/c1-18-24-19(2)33(22-9-11-23(35-3)12-10-22)31-25(24)26(30-29-18)32-15-13-21(14-16-32)27(34)28-17-20-7-5-4-6-8-20/h4-12,21H,13-17H2,1-3H3,(H,28,34)
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n/an/a 4.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95209
PNG
(MLS000687875 | N-[4-[2-[[1-(2,3-dihydro-1,4-benzod...)
Show SMILES CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C20H20N6O4S/c1-2-18(27)21-13-3-5-14(6-4-13)22-19(28)12-31-20-23-24-25-26(20)15-7-8-16-17(11-15)30-10-9-29-16/h3-8,11H,2,9-10,12H2,1H3,(H,21,27)(H,22,28)
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n/an/a 4.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95198
PNG
(Benzo[1,3]dioxole-5-carboxylic acid [4-(1H-benzoim...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H15N3O3/c25-21(14-7-10-18-19(11-14)27-12-26-18)22-15-8-5-13(6-9-15)20-23-16-3-1-2-4-17(16)24-20/h1-11H,12H2,(H,22,25)(H,23,24)
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n/an/a 4.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95215
PNG
(4-[[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)am...)
Show SMILES Cc1sc2nc(C)nc(NCc3ccc(cc3)S(N)(=O)=O)c2c1C
Show InChI InChI=1S/C16H18N4O2S2/c1-9-10(2)23-16-14(9)15(19-11(3)20-16)18-8-12-4-6-13(7-5-12)24(17,21)22/h4-7H,8H2,1-3H3,(H2,17,21,22)(H,18,19,20)
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n/an/a 4.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM43011
PNG
(2-(6-Amino-3,5-dicyano-4-thiophen-2-yl-pyridin-2-y...)
Show SMILES COc1ccccc1CNC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
Show InChI InChI=1S/C21H17N5O2S2/c1-28-16-6-3-2-5-13(16)11-25-18(27)12-30-21-15(10-23)19(17-7-4-8-29-17)14(9-22)20(24)26-21/h2-8H,11-12H2,1H3,(H2,24,26)(H,25,27)
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n/an/a 4.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95201
PNG
(3-(2-Chloro-6-fluoro-phenyl)-4,5-dihydro-isoxazole...)
Show SMILES Fc1cccc(Cl)c1C1=NOC(C1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C18H13ClFN3O2S/c19-11-4-2-5-12(20)16(11)13-7-14(25-23-13)17(24)22-18-10(8-21)9-3-1-6-15(9)26-18/h2,4-5,14H,1,3,6-7H2,(H,22,24)
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n/an/a 4.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM40512
PNG
(2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dih...)
Show SMILES COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1OC
Show InChI InChI=1S/C22H22N4O5S2/c1-13-10-18(25-31-13)24-19(27)12-33-22-23-15-7-9-32-20(15)21(28)26(22)8-6-14-4-5-16(29-2)17(11-14)30-3/h4-5,7,9-11H,6,8,12H2,1-3H3,(H,24,25,27)
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n/an/a 4.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95230
PNG
(MLS001234953 | N-(3-fluorophenyl)-2-(7-methyl-4-ox...)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3cccc(F)c3)nc(=O)n2c1
Show InChI InChI=1S/C16H13FN4O2S/c1-10-5-6-13-19-15(20-16(23)21(13)8-10)24-9-14(22)18-12-4-2-3-11(17)7-12/h2-8H,9H2,1H3,(H,18,22)
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n/an/a 4.49E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95233
PNG
(5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-...)
Show SMILES COc1ccc2oc(C(=O)OCC(=O)N3CC(C)CC(C)C3)c(C)c2c1
Show InChI InChI=1S/C20H25NO5/c1-12-7-13(2)10-21(9-12)18(22)11-25-20(23)19-14(3)16-8-15(24-4)5-6-17(16)26-19/h5-6,8,12-13H,7,9-11H2,1-4H3
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n/an/a 4.49E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
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