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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Zinc finger protein GLI1' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Zinc finger protein GLI1


(Homo sapiens)
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=1S/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-/m0/s1
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n/an/a 620n/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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
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=1S/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-/m0/s1
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n/an/a 660n/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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
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=1S/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...


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
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=1S/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...


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50293859
PNG
((S)-2-(3-Benzoylphenyl)-N-(4-hydroxyphenethyl)-N-p...)
Show SMILES CCCN(CCc1ccc(O)cc1)C(=O)[C@@H](C)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H29NO3/c1-3-17-28(18-16-21-12-14-25(29)15-13-21)27(31)20(2)23-10-7-11-24(19-23)26(30)22-8-5-4-6-9-22/h4-15,19-20,29H,3,16-18H2,1-2H3/t20-/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of exogenously transfected human Gli1-mediated transcriptional activity in mouse C3H10T1/2 cells after 24 hrs by luciferase reporter gene ...


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50241296
PNG
(CHEMBL245412 | Zerumbone)
Show SMILES C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1
Show InChI InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+
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n/an/a 7.10E+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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50293858
PNG
((S)-2-(3-Benzoylphenyl)-N,N-bis(4-hydroxyphenethyl...)
Show SMILES C[C@H](C(=O)N(CCc1ccc(O)cc1)CCc1ccc(O)cc1)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C32H31NO4/c1-23(27-8-5-9-28(22-27)31(36)26-6-3-2-4-7-26)32(37)33(20-18-24-10-14-29(34)15-11-24)21-19-25-12-16-30(35)17-13-25/h2-17,22-23,34-35H,18-21H2,1H3/t23-/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of exogenously transfected human Gli1-mediated transcriptional activity in mouse C3H10T1/2 cells after 24 hrs by luciferase reporter gene ...


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50293860
PNG
((S)-2-(3-Benzoylphenyl)-N-(3,4-dihydroxyphenethyl)...)
Show SMILES C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C23H23NO4/c1-16(23(27)24-13-12-17-10-11-21(25)22(26)14-17)18-6-5-9-20(15-18)28-19-7-3-2-4-8-19/h2-11,14-16,25-26H,12-13H2,1H3,(H,24,27)/t16-/m0/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of exogenously transfected human Gli1-mediated transcriptional activity in mouse C3H10T1/2 cells after 24 hrs by luciferase reporter gene ...


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50293861
PNG
((S)-2-(3-Benzoylphenyl)-N-(4-hydroxyphenethyl)prop...)
Show SMILES C[C@H](C(=O)NCCc1ccc(O)cc1)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H23NO3/c1-17(24(28)25-15-14-18-10-12-22(26)13-11-18)20-8-5-9-21(16-20)23(27)19-6-3-2-4-7-19/h2-13,16-17,26H,14-15H2,1H3,(H,25,28)/t17-/m0/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of exogenously transfected human Gli1-mediated transcriptional activity in mouse C3H10T1/2 cells after 24 hrs by luciferase reporter gene ...


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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n/an/a 3.20E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50249140
PNG
(CHEMBL470503 | colubrinic acid)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50249140
PNG
(CHEMBL470503 | colubrinic acid)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
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n/an/a 3.80E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50249557
PNG
(2,2'-(2-(pyridin-4-yl)dihydropyrimidine-1,3(2H,4H)...)
Show SMILES CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1
Show InChI InChI=1S/C27H35N5/c1-29(2)25-12-7-5-10-23(25)20-31-18-9-19-32(27(31)22-14-16-28-17-15-22)21-24-11-6-8-13-26(24)30(3)4/h5-8,10-17,27H,9,18-21H2,1-4H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human Gli1-mediated transcriptional activity in human Rh30 cells after 24 hrs by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50249188
PNG
(Alphitolic acid | CHEMBL511805)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
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n/an/a 4.20E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50249188
PNG
(Alphitolic acid | CHEMBL511805)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50274058
PNG
(CHEMBL522108 | ceanothanolic acid)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](CO)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens)
BDBM50377959
PNG
(CHEMBL491069)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]([C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12)C(O)=O
Show InChI InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,27+,28+,29-,30-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair