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Compile Data Set for Download or QSAR

Found 376 hits of ic50 data for polymerid = 50003727,50003999,50007884   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Zinc finger protein GLI1


(Mus musculus)
BDBM89484
PNG
(MLS002702998 | Ossamycin | SMR001566807 | cid_5351...)
Show SMILES CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)\C=C\[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](OC4CCC(C(C)O4)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1
Show InChI InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15-,25-22+/t30-,31+,32?,33+,34+,35+,36?,37-,38-,40?,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1
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n/an/a<9.77n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89339
PNG
(MLS001018415 | N-(6-piperidin-1-ylpyrimidin-4-yl)b...)
Show SMILES O=C(Nc1cc(ncn1)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C16H18N4O/c21-16(13-7-3-1-4-8-13)19-14-11-15(18-12-17-14)20-9-5-2-6-10-20/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,17,18,19,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89387
PNG
(MLS001214654 | SMR000543665 | cid_16404087)
Show SMILES C[C@@H]1CCC2C(C)C(OC(=O)CCC(=O)NC(C)(C)CO)O[C@H]3OC4(C)CC[C@@H]1C23OO4
Show InChI InChI=1S/C23H37NO8/c1-13-6-7-16-14(2)19(28-18(27)9-8-17(26)24-21(3,4)12-25)29-20-23(16)15(13)10-11-22(5,30-20)31-32-23/h13-16,19-20,25H,6-12H2,1-5H3,(H,24,26)/t13-,14?,15+,16?,19?,20+,22?,23?/m1/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM64248
PNG
(MLS001030720 | N-cyclopropyl-2-[(5-methyl-2-p-phen...)
Show SMILES CCOc1ccc(cc1)-c1nc(CSCC(=O)NC2CC2)c(C)o1
Show InChI InChI=1S/C18H22N2O3S/c1-3-22-15-8-4-13(5-9-15)18-20-16(12(2)23-18)10-24-11-17(21)19-14-6-7-14/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3,(H,19,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89388
PNG
(MLS001214642 | SMR000543664 | cid_16404356)
Show SMILES CCC(C)NC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC(C1C)C24OO3
Show InChI InChI=1S/C23H37NO7/c1-6-14(3)24-18(25)9-10-19(26)27-20-15(4)17-8-7-13(2)16-11-12-22(5)29-21(28-20)23(16,17)31-30-22/h13-17,20-21H,6-12H2,1-5H3,(H,24,25)/t13-,14?,15?,16+,17?,20?,21+,22?,23?/m1/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89283
PNG
(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(C)cc2[N+]([O-])=O)c1C
Show InChI InChI=1S/C18H19N3O6/c1-9-5-6-13(14(7-9)21(25)26)20-15(23)8-27-18(24)17-10(2)16(12(4)22)11(3)19-17/h5-7,19H,8H2,1-4H3,(H,20,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89389
PNG
(MLS001214678 | SMR000543667 | cid_16405253)
Show SMILES CC(C)CC(NC(=O)CCCNC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC(C1C)C24OO3)C(O)=O
Show InChI InChI=1S/C29H46N2O10/c1-16(2)15-21(25(35)36)31-23(33)7-6-14-30-22(32)10-11-24(34)37-26-18(4)20-9-8-17(3)19-12-13-28(5)39-27(38-26)29(19,20)41-40-28/h16-21,26-27H,6-15H2,1-5H3,(H,30,32)(H,31,33)(H,35,36)/t17-,18?,19+,20?,21?,26?,27+,28?,29?/m1/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50378034
PNG
(CHEMBL504404 | NSC-287088 | PHYSALIN B)
Show SMILES C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](CC=C5CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5
Show InChI InChI=1/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3/t14-,15+,16-,18+,19-,23+,24-,25-,26-,27+,28-/s2
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli1-mediated transcription expressed in human PANC1 cells


J Med Chem 52: 3829-45 (2009)


Article DOI: 10.1021/jm801420y
BindingDB Entry DOI: 10.7270/Q22N536M
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89350
PNG
(7-(2,4-dichlorobenzyl)-8-(2-furfurylamino)-1,3-dim...)
Show SMILES Cn1c2nc(NCc3ccco3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H17Cl2N5O3/c1-24-16-15(17(27)25(2)19(24)28)26(10-11-5-6-12(20)8-14(11)21)18(23-16)22-9-13-4-3-7-29-13/h3-8H,9-10H2,1-2H3,(H,22,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50378033
PNG
(PHYSALIN F)
Show SMILES C[C@@]12OC(=O)[C@]3(O)CC[C@H]4[C@@H](C[C@H]5O[C@]55CC=CC(=O)[C@]45C)[C@@]45O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)[C@@H]1CO5
Show InChI InChI=1/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/s2
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli1-mediated transcription expressed in human PANC1 cells


J Med Chem 52: 3829-45 (2009)


Article DOI: 10.1021/jm801420y
BindingDB Entry DOI: 10.7270/Q22N536M
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89263
PNG
((5E)-5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)m...)
Show SMILES Cc1cc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)c(C)n1-c1cccnc1
Show InChI InChI=1S/C21H16N4O3S2/c1-13-10-15(14(2)23(13)18-4-3-9-22-12-18)11-19-20(26)24(21(29)30-19)16-5-7-17(8-6-16)25(27)28/h3-12H,1-2H3/b19-11+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89380
PNG
((2R,4S)-4-cyclohexyl-2-(4-hydroxybutoxy)-N-phenyl-...)
Show SMILES OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)Nc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C22H31NO4/c24-13-7-8-14-26-21-16-18(17-9-3-1-4-10-17)15-20(27-21)22(25)23-19-11-5-2-6-12-19/h2,5-6,11-12,15,17-18,21,24H,1,3-4,7-10,13-14,16H2,(H,23,25)/t18-,21+/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89452
PNG
(3-(methylsulfamoyl)benzoic acid [2-[2,5-dimethyl-1...)
Show SMILES CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C
Show InChI InChI=1/C21H26N2O6S/c1-14-10-19(15(2)23(14)12-17-7-5-9-28-17)20(24)13-29-21(25)16-6-4-8-18(11-16)30(26,27)22-3/h4,6,8,10-11,17,22H,5,7,9,12-13H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89317
PNG
(3-(2-amino-5-bromo-phenyl)-1H-quinoxalin-2-one | 3...)
Show SMILES Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C14H10BrN3O/c15-8-5-6-10(16)9(7-8)13-14(19)18-12-4-2-1-3-11(12)17-13/h1-7H,16H2,(H,18,19)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM42062
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl(thieno[2,3-...)
Show SMILES C(Nc1ncnc2sccc12)C1COc2ccccc2O1
Show InChI InChI=1S/C15H13N3O2S/c1-2-4-13-12(3-1)19-8-10(20-13)7-16-14-11-5-6-21-15(11)18-9-17-14/h1-6,9-10H,7-8H2,(H,16,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89436
PNG
(MLS001303580 | N-[2-ethoxy-5-(4-pyridylmethylsulfa...)
Show SMILES CCOc1ccc(cc1NC(=O)c1ccccc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C21H21N3O4S/c1-2-28-20-9-8-18(29(26,27)23-15-16-10-12-22-13-11-16)14-19(20)24-21(25)17-6-4-3-5-7-17/h3-14,23H,2,15H2,1H3,(H,24,25)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM49427
PNG
((4-heptoxyphenyl) pyridine-4-carboxylate | 4-pyrid...)
Show SMILES CCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-5-6-15-22-17-7-9-18(10-8-17)23-19(21)16-11-13-20-14-12-16/h7-14H,2-6,15H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89373
PNG
(1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]azepane | 2-...)
Show SMILES Brc1ccc(cc1)-c1csc(n1)N1CCCCCC1
Show InChI InChI=1S/C15H17BrN2S/c16-13-7-5-12(6-8-13)14-11-19-15(17-14)18-9-3-1-2-4-10-18/h5-8,11H,1-4,9-10H2
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n/an/a 1.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89485
PNG
((E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-2...)
Show SMILES NC(=O)C(=C\c1ccc(cc1)N(CCBr)CCBr)\C#N
Show InChI InChI=1S/C14H15Br2N3O/c15-5-7-19(8-6-16)13-3-1-11(2-4-13)9-12(10-17)14(18)20/h1-4,9H,5-8H2,(H2,18,20)/b12-9+
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n/an/a 1.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM49428
PNG
((4-heptoxyphenyl) pyridine-3-carboxylate | 3-pyrid...)
Show SMILES CCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-5-6-14-22-17-9-11-18(12-10-17)23-19(21)16-8-7-13-20-15-16/h7-13,15H,2-6,14H2,1H3
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n/an/a 1.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM60234
PNG
((1E)-N-(2,4-dichloroanilino)-2-keto-thiopropionimi...)
Show SMILES CC(=O)C(Sc1cccc2cccnc12)=NNc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H13Cl2N3OS/c1-11(24)18(23-22-15-8-7-13(19)10-14(15)20)25-16-6-2-4-12-5-3-9-21-17(12)16/h2-10,22H,1H3/b23-18+
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n/an/a 1.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM68071
PNG
(MLS000374456 | N-[4-(1-benzofuran-2-yl)-1,3-thiazo...)
Show SMILES CC1CN(CC(C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1
Show InChI InChI=1S/C24H23N3O5S2/c1-15-12-27(13-16(2)31-15)34(29,30)19-9-7-17(8-10-19)23(28)26-24-25-20(14-33-24)22-11-18-5-3-4-6-21(18)32-22/h3-11,14-16H,12-13H2,1-2H3,(H,25,26,28)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89461
PNG
(3-methoxy-4-[[5-methyl-6-oxidanylidene-9-(phenylme...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(Cc3ccccc3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C29H35N7O3/c1-34-14-11-22(12-15-34)31-28(38)21-9-10-23(25(17-21)39-3)32-29-30-18-24-27(33-29)36(16-13-26(37)35(24)2)19-20-7-5-4-6-8-20/h4-10,17-18,22H,11-16,19H2,1-3H3,(H,31,38)(H,30,32,33)
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n/an/a 1.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM64675
PNG
(10-methyl-3-(4-phenylphenyl)-2H-[1,3,4]thiadiazino...)
Show SMILES C[n+]1c2SCC(=Nn2c2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N3S/c1-24-20-9-5-6-10-21(20)25-22(24)26-15-19(23-25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,15H2,1H3/q+1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89395
PNG
(2-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methylthio]-...)
Show SMILES CCOc1ccc(cc1)-c1nc(CSCC(=O)NCC2CCCO2)c(C)o1
Show InChI InChI=1S/C20H26N2O4S/c1-3-24-16-8-6-15(7-9-16)20-22-18(14(2)26-20)12-27-13-19(23)21-11-17-5-4-10-25-17/h6-9,17H,3-5,10-13H2,1-2H3,(H,21,23)
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n/an/a 1.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89265
PNG
(MLS000580834 | N-(3-Chloro-4-methyl-phenyl)-2-oxo-...)
Show SMILES CC(=NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)c1ccncc1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-3-4-13(9-14(10)17)19-15(22)16(23)21-20-11(2)12-5-7-18-8-6-12/h3-9H,1-2H3,(H,19,22)(H,21,23)/b20-11+
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n/an/a 1.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89401
PNG
(MLS001126732 | SMR000657962 | [3-(3-hydroxypropyl)...)
Show SMILES OCCCC1CCCN(C1)C(=O)c1cc(COc2cccc3cnccc23)on1
Show InChI InChI=1S/C22H25N3O4/c26-11-3-5-16-4-2-10-25(14-16)22(27)20-12-18(29-24-20)15-28-21-7-1-6-17-13-23-9-8-19(17)21/h1,6-9,12-13,16,26H,2-5,10-11,14-15H2
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n/an/a 1.53E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM50058420
PNG
((methylbenzoprim, MBP) 5-[4-(Benzyl-methyl-amino)-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N6O2/c1-3-15-18(19(21)24-20(22)23-15)14-9-10-16(17(11-14)26(27)28)25(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H4,21,22,23,24)
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n/an/a 1.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50321859
PNG
(2-(3-Benzoylphenyl)-N-(1H-indol-5-yl)-N-propylprop...)
Show SMILES CCCN(C(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1/C27H26N2O2/c1-3-16-29(24-12-13-25-22(18-24)14-15-28-25)27(31)19(2)21-10-7-11-23(17-21)26(30)20-8-5-4-6-9-20/h4-15,17-19,28H,3,16H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human Gli1 expressed in mouse C3H10T1/2 cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter ge...


Bioorg Med Chem 18: 4801-11 (2011)


Article DOI: 10.1016/j.bmc.2010.05.001
BindingDB Entry DOI: 10.7270/Q23R0TTT
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89460
PNG
(4-[(9-cyclohexyl-5-methyl-6-oxidanylidene-7,8-dihy...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H39N7O3/c1-33-14-11-20(12-15-33)30-27(37)19-9-10-22(24(17-19)38-3)31-28-29-18-23-26(32-28)35(16-13-25(36)34(23)2)21-7-5-4-6-8-21/h9-10,17-18,20-21H,4-8,11-16H2,1-3H3,(H,30,37)(H,29,31,32)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM42452
PNG
(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro...)
Show SMILES COc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccccc-21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClN2O/c1-28-21-13-11-20(12-14-21)27-23(18-6-9-19(25)10-7-18)16-26-22-5-3-2-4-17(22)8-15-24(26)27/h2-7,9-14,16H,8,15H2,1H3/q+1
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n/an/a 1.78E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50240978
PNG
(2,3-dihydroxy-6,7,12,13-tetrahydro-5H-indolo[2,3-a...)
Show SMILES Oc1cc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2cc1O
Show InChI InChI=1S/C20H11N3O4/c24-11-5-8-10(6-12(11)25)22-18-14(8)16-15(19(26)23-20(16)27)13-7-3-1-2-4-9(7)21-17(13)18/h1-6,21-22,24-25H,(H,23,26,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli1-mediated transcription expressed in human PANC1 cells


J Med Chem 52: 3829-45 (2009)


Article DOI: 10.1021/jm801420y
BindingDB Entry DOI: 10.7270/Q22N536M
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50240682
PNG
(2,10-dihydroxy-6,7,12,13-tetrahydro-5H-indolo[2,3-...)
Show SMILES Oc1ccc2c(c1)[nH]c1c3[nH]c4cc(O)ccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H11N3O4/c24-7-1-3-9-11(5-7)21-17-13(9)15-16(20(27)23-19(15)26)14-10-4-2-8(25)6-12(10)22-18(14)17/h1-6,21-22,24-25H,(H,23,26,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli1-mediated transcription expressed in human PANC1 cells


J Med Chem 52: 3829-45 (2009)


Article DOI: 10.1021/jm801420y
BindingDB Entry DOI: 10.7270/Q22N536M
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli1-mediated transcription expressed in human PANC1 cells


J Med Chem 52: 3829-45 (2009)


Article DOI: 10.1021/jm801420y
BindingDB Entry DOI: 10.7270/Q22N536M
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50240964
PNG
(11-hydroxy-2,3,8,9-tetrahydro-1H-indolo[2,3-a]pyrr...)
Show SMILES Oc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3CNC(=O)c3c21
Show InChI InChI=1S/C20H13N3O2/c24-9-5-6-11-14(7-9)23-19-16(11)17-12(8-21-20(17)25)15-10-3-1-2-4-13(10)22-18(15)19/h1-7,22-24H,8H2,(H,21,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli1-mediated transcription expressed in human PANC1 cells


J Med Chem 52: 3829-45 (2009)


Article DOI: 10.1021/jm801420y
BindingDB Entry DOI: 10.7270/Q22N536M
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89352
PNG
((2S,4R)-4-cyclohexyl-2-(4-hydroxybutoxy)-N-phenyl-...)
Show SMILES OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)Nc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C22H31NO4/c24-13-7-8-14-26-21-16-18(17-9-3-1-4-10-17)15-20(27-21)22(25)23-19-11-5-2-6-12-19/h2,5-6,11-12,15,17-18,21,24H,1,3-4,7-10,13-14,16H2,(H,23,25)/t18-,21+/m1/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM37170
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
Show InChI InChI=1/C22H25NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h6,10-11,13,23H,1,7-9H2,2-5H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89269
PNG
((E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(2-furany...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)\C=C\c1ccco1
Show InChI InChI=1S/C20H15N3O2/c24-19(12-11-16-4-3-13-25-16)21-15-9-7-14(8-10-15)20-22-17-5-1-2-6-18(17)23-20/h1-13H,(H,21,24)(H,22,23)/b12-11+
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n/an/a 1.99E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89347
PNG
(2-[2-[3-(3-bromophenyl)-1,2-oxazol-5-yl]propan-2-y...)
Show SMILES CNc1ccccc1C(C)(C)c1cc(no1)-c1cccc(Br)c1
Show InChI InChI=1S/C19H19BrN2O/c1-19(2,15-9-4-5-10-16(15)21-3)18-12-17(22-23-18)13-7-6-8-14(20)11-13/h4-12,21H,1-3H3
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n/an/a 2.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM53616
PNG
(1-ethyl-2,3,3,5-tetramethyl-3H-indolium | 1-ethyl-...)
Show SMILES CC[N+]1=C(C)C(C)(C)c2cc(C)ccc12
Show InChI InChI=1S/C14H20N/c1-6-15-11(3)14(4,5)12-9-10(2)7-8-13(12)15/h7-9H,6H2,1-5H3/q+1
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n/an/a 2.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89300
PNG
((E)-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(2...)
Show SMILES Cc1ccc(NC(=O)\C=C\c2ccco2)cc1S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C20H24N2O4S/c1-16-8-9-17(21-20(23)11-10-18-7-6-14-26-18)15-19(16)27(24,25)22-12-4-2-3-5-13-22/h6-11,14-15H,2-5,12-13H2,1H3,(H,21,23)/b11-10+
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n/an/a 2.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM37197
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES CCCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C23H29NO6/c1-6-7-8-30-23(26)21-13(2)20-16(24-21)9-14(10-17(20)25)15-11-18(27-3)22(29-5)19(12-15)28-4/h11-12,14,24H,6-10H2,1-5H3
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n/an/a 2.22E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM40828
PNG
(3-(1-azepanylsulfonyl)-N-(4-thiophen-2-yl-2-thiazo...)
Show SMILES O=C(Nc1nc(cs1)-c1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C20H21N3O3S3/c24-19(22-20-21-17(14-28-20)18-9-6-12-27-18)15-7-5-8-16(13-15)29(25,26)23-10-3-1-2-4-11-23/h5-9,12-14H,1-4,10-11H2,(H,21,22,24)
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n/an/a 2.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89346
PNG
(3-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1cc(-c2ccc(OC(F)F)cc2)[n+]2CCCCCc12
Show InChI InChI=1S/C22H23F2N2O2/c1-27-18-12-8-17(9-13-18)26-15-20(25-14-4-2-3-5-21(25)26)16-6-10-19(11-7-16)28-22(23)24/h6-13,15,22H,2-5,14H2,1H3/q+1
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n/an/a 2.29E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM67050
PNG
(4-[(4-ethoxyphenoxy)methyl]-N'-[(Z)-2-pyrrolyliden...)
Show SMILES CCOc1ccc(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)cc1
Show InChI InChI=1S/C21H21N3O3/c1-2-26-19-9-11-20(12-10-19)27-15-16-5-7-17(8-6-16)21(25)24-23-14-18-4-3-13-22-18/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-14+
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n/an/a 2.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM65186
PNG
(Dodecyl-dimethyl-prop-2-ynyl-ammonium | MLS0005904...)
Show SMILES CCCCCCCCCCCC[N+](C)(C)CC#C
Show InChI InChI=1S/C17H34N/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2/h2H,5,7-17H2,1,3-4H3/q+1
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n/an/a 2.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89255
PNG
(4-[4-(4-methoxyphenyl)-1-piperazinyl]-5H-pyrimido[...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C21H21N5O/c1-27-16-8-6-15(7-9-16)25-10-12-26(13-11-25)21-20-19(22-14-23-21)17-4-2-3-5-18(17)24-20/h2-9,14,24H,10-13H2,1H3
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n/an/a 2.52E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50321858
PNG
(2-(3-Benzoylphenyl)-N-(1H-indol-6-yl)-N-propylprop...)
Show SMILES CCCN(C(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)c1ccc2cc[nH]c2c1
Show InChI InChI=1/C27H26N2O2/c1-3-16-29(24-13-12-20-14-15-28-25(20)18-24)27(31)19(2)22-10-7-11-23(17-22)26(30)21-8-5-4-6-9-21/h4-15,17-19,28H,3,16H2,1-2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human Gli1 expressed in mouse C3H10T1/2 cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter ge...


Bioorg Med Chem 18: 4801-11 (2011)


Article DOI: 10.1016/j.bmc.2010.05.001
BindingDB Entry DOI: 10.7270/Q23R0TTT
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM36933
PNG
(MLS000041708 | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-...)
Show SMILES COc1ccc(CCNc2ncnc3c4ccccc4oc23)cc1OC
Show InChI InChI=1S/C20H19N3O3/c1-24-16-8-7-13(11-17(16)25-2)9-10-21-20-19-18(22-12-23-20)14-5-3-4-6-15(14)26-19/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23)
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n/an/a 2.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
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