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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'punchihewa' and Initial = 'c'   
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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249185
PNG
(4-(4-cyclopropylquinazolin-2-ylamino)-N-(2,6-dimet...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(C3CC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C26H24N4O/c1-16-6-5-7-17(2)23(16)29-25(31)19-12-14-20(15-13-19)27-26-28-22-9-4-3-8-21(22)24(30-26)18-10-11-18/h3-9,12-15,18H,10-11H2,1-2H3,(H,29,31)(H,27,28,30)
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n/an/a 2.80n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249522
PNG
(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)
Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
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n/an/a 3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249186
PNG
(CHEMBL472802 | N-(2,6-dimethylphenyl)-4-(4-phenylp...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3cccnc3n2)cc1
Show InChI InChI=1S/C28H23N5O/c1-18-8-6-9-19(2)24(18)31-27(34)21-13-15-22(16-14-21)30-28-32-25(20-10-4-3-5-11-20)23-12-7-17-29-26(23)33-28/h3-17H,1-2H3,(H,31,34)(H,29,30,32,33)
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n/an/a 3.60n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249184
PNG
(CHEMBL515093 | N-(1-methyl-1,2,3,4-tetrahydroquino...)
Show SMILES CN1CCCc2ccc(NC(=O)c3ccc(Nc4nc(-c5ccccc5)c5ccccc5n4)cc3)cc12
Show InChI InChI=1S/C31H27N5O/c1-36-19-7-10-21-13-18-25(20-28(21)36)32-30(37)23-14-16-24(17-15-23)33-31-34-27-12-6-5-11-26(27)29(35-31)22-8-3-2-4-9-22/h2-6,8-9,11-18,20H,7,10,19H2,1H3,(H,32,37)(H,33,34,35)
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n/an/a 5.80n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249488
PNG
(4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl...)
Show SMILES Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1 |w:7.7|
Show InChI InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249489
PNG
(CHEMBL514344 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C26H26ClN3O4/c1-4-32-22-13-16(14-23(33-5-2)24(22)34-6-3)26(31)28-17-11-12-19(27)18(15-17)25-29-20-9-7-8-10-21(20)30-25/h7-15H,4-6H2,1-3H3,(H,28,31)(H,29,30)
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n/an/a 30n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249523
PNG
(CHEMBL514622 | N-(4-ethoxyphenyl)-4-(2-methylimida...)
Show SMILES CCOc1ccc(Nc2nc(cs2)-c2c(C)nc3ccccn23)cc1
Show InChI InChI=1S/C19H18N4OS/c1-3-24-15-9-7-14(8-10-15)21-19-22-16(12-25-19)18-13(2)20-17-6-4-5-11-23(17)18/h4-12H,3H2,1-2H3,(H,21,22)
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n/an/a 30n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249517
PNG
(6-cyclopropyl-4-(4-methoxyphenyl)-2-(2-oxopropylth...)
Show SMILES COc1ccc(cc1)-c1cc(nc(SCC(C)=O)c1C#N)C1CC1
Show InChI InChI=1S/C19H18N2O2S/c1-12(22)11-24-19-17(10-20)16(9-18(21-19)14-3-4-14)13-5-7-15(23-2)8-6-13/h5-9,14H,3-4,11H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay

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
Sonic hedgehog protein


(Homo sapiens (Human))		BDBM50249519
PNG
(CHEMBL480889 | N-((3S,5S)-1-(benzo[d][1,3]dioxol-5...)
Show SMILES COc1cccc(CN([C@H]2C[C@H](N(Cc3ccc4OCOc4c3)C2)C(=O)N2CCNCC2)C(=O)CC(C)(C)C)c1 |r|
Show InChI InChI=1S/C31H42N4O5/c1-31(2,3)17-29(36)35(19-22-6-5-7-25(14-22)38-4)24-16-26(30(37)33-12-10-32-11-13-33)34(20-24)18-23-8-9-27-28(15-23)40-21-39-27/h5-9,14-15,24,26,32H,10-13,16-21H2,1-4H3/t24-,26-/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of lipid-modified (octylated) form of SHH expressed in mouse s12 cells by luciferase reporter gene assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249554
PNG
(1-(3-(4-phenylthiazol-2-ylamino)phenyl)ethanone | ...)
Show SMILES CC(=O)c1cccc(Nc2nc(cs2)-c2ccccc2)c1
Show InChI InChI=1S/C17H14N2OS/c1-12(20)14-8-5-9-15(10-14)18-17-19-16(11-21-17)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19)
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n/an/a 100n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249556
PNG
(CHEMBL511979 | N-(5-chloro-2-methoxyphenyl)-4-(pyr...)
Show SMILES COc1ccc(Cl)cc1Nc1nc(cs1)-c1cccnc1
Show InChI InChI=1S/C15H12ClN3OS/c1-20-14-5-4-11(16)7-12(14)18-15-19-13(9-21-15)10-3-2-6-17-8-10/h2-9H,1H3,(H,18,19)
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n/an/a 100n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249555
PNG
(4-(pyridin-2-yl)-N-p-tolylthiazol-2-amine | CHEMBL...)
Show SMILES Cc1ccc(Nc2nc(cs2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H13N3S/c1-11-5-7-12(8-6-11)17-15-18-14(10-19-15)13-4-2-3-9-16-13/h2-10H,1H3,(H,17,18)
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n/an/a 100n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249553
PNG
(CHEMBL511978 | N-(4-(2-methylimidazo[1,2-a]pyridin...)
Show SMILES Cc1nc2ccccn2c1-c1csc(NC(=O)c2ccc3ccccc3c2)n1
Show InChI InChI=1S/C22H16N4OS/c1-14-20(26-11-5-4-8-19(26)23-14)18-13-28-22(24-18)25-21(27)17-10-9-15-6-2-3-7-16(15)12-17/h2-13H,1H3,(H,24,25,27)
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249518
PNG
((E)-3-(4-(5-pentylpyridin-2-yl)phenyl)-1-(piperidi...)
Show SMILES CCCCCc1ccc(nc1)-c1ccc(\C=C\C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C24H30N2O/c1-2-3-5-8-21-11-15-23(25-19-21)22-13-9-20(10-14-22)12-16-24(27)26-17-6-4-7-18-26/h9-16,19H,2-8,17-18H2,1H3/b16-12+
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n/an/a 200n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay

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
Sonic hedgehog protein


(Homo sapiens (Human))		BDBM50170645
PNG
(5'-hydroxy-2',3,6,15'-tetramethyl-(1'S,2'R,2'R,3R,...)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C |r,c:33,t:18|
Show InChI InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
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St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of lipid-modified (octylated) form of SHH expressed in mouse s12 cells by luciferase reporter gene assay

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))		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 |r,c:15,t:12,TLB:29:27:25:22.23,32:34:25:22.23,THB:28:27:25:22.23|
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

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))		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 |r,c:17,TLB:33:35:26:24.23,30:28:26:24.23,THB:29:28:26:24.23|
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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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 GLI2


(Homo sapiens (Human))		BDBM50241296
PNG
(CHEMBL245412 | Zerumbone)
Show SMILES C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1 |c:1,t:7,12|
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 910n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli2-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
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431458
PNG
(CHEMBL2348291)
Show SMILES CS(=O)(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C16H18I2N2O4S/c1-25(22,23)20-9-11(19)6-10-7-14(17)16(15(18)8-10)24-13-4-2-12(21)3-5-13/h2-5,7-8,11,20-21H,6,9,19H2,1H3/t11-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431464
PNG
(CHEMBL2348285)
Show SMILES CC(C)NC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C19H22I2N2O4/c1-11(2)22-19(26)23-13(10-24)7-12-8-16(20)18(17(21)9-12)27-15-5-3-14(25)4-6-15/h3-6,8-9,11,13,24-25H,7,10H2,1-2H3,(H2,22,23,26)/t13-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431459
PNG
(CHEMBL2348290)
Show SMILES N[C@H](CNC(=O)CCN1CCOCC1)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C22H27I2N3O4/c23-19-12-15(13-20(24)22(19)31-18-3-1-17(28)2-4-18)11-16(25)14-26-21(29)5-6-27-7-9-30-10-8-27/h1-4,12-13,16,28H,5-11,14,25H2,(H,26,29)/t16-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431461
PNG
(CHEMBL2348288)
Show SMILES CC(C)NC(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C19H23I2N3O3/c1-11(2)24-19(26)23-10-13(22)7-12-8-16(20)18(17(21)9-12)27-15-5-3-14(25)4-6-15/h3-6,8-9,11,13,25H,7,10,22H2,1-2H3,(H2,23,24,26)/t13-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431467
PNG
(CHEMBL2348305)
Show SMILES N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431460
PNG
(CHEMBL2348289)
Show SMILES N[C@H](CNC(=O)N1CCOCC1)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C20H23I2N3O4/c21-17-10-13(9-14(23)12-24-20(27)25-5-7-28-8-6-25)11-18(22)19(17)29-16-3-1-15(26)2-4-16/h1-4,10-11,14,26H,5-9,12,23H2,(H,24,27)/t14-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431462
PNG
(CHEMBL2348287)
Show SMILES CC(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C17H18I2N2O3/c1-10(22)21-9-12(20)6-11-7-15(18)17(16(19)8-11)24-14-4-2-13(23)3-5-14/h2-5,7-8,12,23H,6,9,20H2,1H3,(H,21,22)/t12-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
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=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...

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


(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))		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


(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))		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
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431456
PNG
(CHEMBL2348293)
Show SMILES CNC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C15H12I3NO3/c1-19-14(21)6-8-4-11(17)15(12(18)5-8)22-9-2-3-13(20)10(16)7-9/h2-5,7,20H,6H2,1H3,(H,19,21)
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n/an/a 1.90E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
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=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...

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 GLI2


(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 2.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli2-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 GLI2


(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 2.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli2-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 GLI2


(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 2.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli2-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
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431450
PNG
(CHEMBL2348299)
Show SMILES Oc1ccc(Oc2c(I)cc(CC(=O)N3CCOCC3)cc2I)cc1I
Show InChI InChI=1S/C18H16I3NO4/c19-13-10-12(1-2-16(13)23)26-18-14(20)7-11(8-15(18)21)9-17(24)22-3-5-25-6-4-22/h1-2,7-8,10,23H,3-6,9H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Zinc finger protein GLI2


(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 2.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Gli2-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
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431445
PNG
(CHEMBL2348304)
Show SMILES Oc1ccc(Oc2c(I)cc(CCC(=O)NCC3CCCO3)cc2I)cc1
Show InChI InChI=1S/C20H21I2NO4/c21-17-10-13(3-8-19(25)23-12-16-2-1-9-26-16)11-18(22)20(17)27-15-6-4-14(24)5-7-15/h4-7,10-11,16,24H,1-3,8-9,12H2,(H,23,25)
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n/an/a 2.90E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431465
PNG
(CHEMBL2348284)
Show SMILES COC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C17H17I2NO5/c1-24-17(23)20-11(9-21)6-10-7-14(18)16(15(19)8-10)25-13-4-2-12(22)3-5-13/h2-5,7-8,11,21-22H,6,9H2,1H3,(H,20,23)/t11-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431455
PNG
(CHEMBL2348294)
Show SMILES CN(C)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C16H14I3NO3/c1-20(2)15(22)7-9-5-12(18)16(13(19)6-9)23-10-3-4-14(21)11(17)8-10/h3-6,8,21H,7H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431466
PNG
(CHEMBL2348306)
Show SMILES CC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C17H17I2NO4/c1-10(22)20-12(9-21)6-11-7-15(18)17(16(19)8-11)24-14-4-2-13(23)3-5-14/h2-5,7-8,12,21,23H,6,9H2,1H3,(H,20,22)/t12-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50249102
PNG
(4,4',4'',4'''-(thiophene-2,3,4,5-tetrayl)tetrapyri...)
Show SMILES c1cc(ccn1)-c1sc(c(c1-c1ccncc1)-c1ccncc1)-c1ccncc1
Show InChI InChI=1S/C24H16N4S/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)29-23(21)19-5-13-27-14-6-19/h1-16H
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n/an/a 5.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay

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
Sonic hedgehog protein


(Mus musculus (Mouse))		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 5.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay

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
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431444
PNG
(CHEMBL2348282)
Show SMILES OCCNC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C17H17I2NO4/c18-14-9-11(1-6-16(23)20-7-8-21)10-15(19)17(14)24-13-4-2-12(22)3-5-13/h2-5,9-10,21-22H,1,6-8H2,(H,20,23)
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n/an/a 6.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431463
PNG
(CHEMBL2348286)
Show SMILES CS(=O)(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C16H17I2NO5S/c1-25(22,23)19-11(9-20)6-10-7-14(17)16(15(18)8-10)24-13-4-2-12(21)3-5-13/h2-5,7-8,11,19-21H,6,9H2,1H3/t11-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431468
PNG
(CHEMBL1877304)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431443
PNG
(CHEMBL2348283)
Show SMILES CCOCCNC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C19H21I2NO4/c1-2-25-10-9-22-18(24)8-3-13-11-16(20)19(17(21)12-13)26-15-6-4-14(23)5-7-15/h4-7,11-12,23H,2-3,8-10H2,1H3,(H,22,24)
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n/an/a 6.50E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))		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 |r|
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 ...

J Med Chem 52: 4277-87 (2009)


Article DOI: 10.1021/jm900106f
BindingDB Entry DOI: 10.7270/Q2QJ7H9J
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))		BDBM50241296
PNG
(CHEMBL245412 | Zerumbone)
Show SMILES C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1 |c:1,t:7,12|
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

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
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