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Found 208 hits Enz. Inhib. hit(s) with Target = 'Sonic hedgehog protein' AND taxid = 10090   
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
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443885
PNG
(CHEMBL3091556)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(c(n2)-c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H20F6N4O2/c1-15-4-3-5-16(2)22(15)36-24(38)18-6-10-19(11-7-18)35-25-34-14-21(26(28,29)30)23(37-25)17-8-12-20(13-9-17)39-27(31,32)33/h3-14H,1-2H3,(H,36,38)(H,34,35,37)
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n/an/a 0.530n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443912
PNG
(CHEMBL3091466)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccncc2)cc1
Show InChI InChI=1S/C25H23N5O/c1-16-5-4-6-17(2)22(16)29-24(31)20-7-9-21(10-8-20)28-25-27-15-18(3)23(30-25)19-11-13-26-14-12-19/h4-15H,1-3H3,(H,29,31)(H,27,28,30)
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n/an/a 0.540n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443889
PNG
(CHEMBL3091552)
Show SMILES CCCc1cc(nc(Nc2ccc(cc2)C(=O)Nc2c(C)cccc2C)n1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H27F3N4O2/c1-4-6-23-17-25(20-11-15-24(16-12-20)38-29(30,31)32)35-28(34-23)33-22-13-9-21(10-14-22)27(37)36-26-18(2)7-5-8-19(26)3/h5,7-17H,4,6H2,1-3H3,(H,36,37)(H,33,34,35)
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n/an/a 0.800n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443903
PNG
(CHEMBL3091565)
Show SMILES Cc1ccccc1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H21F3N4O2/c1-16-5-3-4-6-22(16)32-24(34)19-7-11-20(12-8-19)31-25-30-15-17(2)23(33-25)18-9-13-21(14-10-18)35-26(27,28)29/h3-15H,1-2H3,(H,32,34)(H,30,31,33)
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n/an/a 1n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443896
PNG
(CHEMBL3091572)
Show SMILES CN(Cc1ccccc1)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(C)c(n3)-c3ccc(OC(F)(F)F)cc3)cc2)c1
Show InChI InChI=1S/C35H32F3N5O2/c1-23-9-10-26(22-43(3)21-25-7-5-4-6-8-25)19-31(23)41-33(44)28-11-15-29(16-12-28)40-34-39-20-24(2)32(42-34)27-13-17-30(18-14-27)45-35(36,37)38/h4-20H,21-22H2,1-3H3,(H,41,44)(H,39,40,42)
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n/an/a 1.10n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443902
PNG
(CHEMBL3091566)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1)-c1cnn(C)c1
Show InChI InChI=1S/C30H25F3N6O2/c1-18-4-5-22(23-16-35-39(3)17-23)14-26(18)37-28(40)21-6-10-24(11-7-21)36-29-34-15-19(2)27(38-29)20-8-12-25(13-9-20)41-30(31,32)33/h4-17H,1-3H3,(H,37,40)(H,34,36,38)
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n/an/a 1.20n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443892
PNG
(CHEMBL3091549)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2nccc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H21F3N4O2/c1-16-4-3-5-17(2)23(16)33-24(34)19-6-10-20(11-7-19)31-25-30-15-14-22(32-25)18-8-12-21(13-9-18)35-26(27,28)29/h3-15H,1-2H3,(H,33,34)(H,30,31,32)
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n/an/a 1.20n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443920
PNG
(CHEMBL3091729)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2cccc(OC(F)(F)F)c2)cc1
Show InChI InChI=1S/C27H23F3N4O2/c1-16-6-4-7-17(2)23(16)33-25(35)19-10-12-21(13-11-19)32-26-31-15-18(3)24(34-26)20-8-5-9-22(14-20)36-27(28,29)30/h4-15H,1-3H3,(H,33,35)(H,31,32,34)
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n/an/a 1.20n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443894
PNG
(CHEMBL3091574)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C3CC3)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C29H25F3N4O2/c1-17-4-3-5-18(2)25(17)35-27(37)21-8-12-22(13-9-21)34-28-33-16-24(19-6-7-19)26(36-28)20-10-14-23(15-11-20)38-29(30,31)32/h3-5,8-16,19H,6-7H2,1-2H3,(H,35,37)(H,33,34,36)
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n/an/a 1.30n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443913
PNG
(CHEMBL3091736)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H24N4O/c1-17-8-7-9-18(2)23(17)29-25(31)21-12-14-22(15-13-21)28-26-27-16-19(3)24(30-26)20-10-5-4-6-11-20/h4-16H,1-3H3,(H,29,31)(H,27,28,30)
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n/an/a 1.30n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443921
PNG
(CHEMBL3091577)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C27H23F3N4O2/c1-16-5-4-6-17(2)23(16)33-25(35)20-7-11-21(12-8-20)32-26-31-15-18(3)24(34-26)19-9-13-22(14-10-19)36-27(28,29)30/h4-15H,1-3H3,(H,33,35)(H,31,32,34)
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n/an/a 1.30n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443891
PNG
(CHEMBL3091550)
Show SMILES Cc1cc(nc(Nc2ccc(cc2)C(=O)Nc2c(C)cccc2C)n1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N4O2/c1-16-5-4-6-17(2)24(16)34-25(35)20-7-11-21(12-8-20)32-26-31-18(3)15-23(33-26)19-9-13-22(14-10-19)36-27(28,29)30/h4-15H,1-3H3,(H,34,35)(H,31,32,33)
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n/an/a 1.40n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443893
PNG
(CHEMBL3091548)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2nc(C)c(C)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C28H25F3N4O2/c1-16-6-5-7-17(2)24(16)34-26(36)21-8-12-22(13-9-21)33-27-32-19(4)18(3)25(35-27)20-10-14-23(15-11-20)37-28(29,30)31/h5-15H,1-4H3,(H,34,36)(H,32,33,35)
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n/an/a 1.60n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443887
PNG
(CHEMBL3091554)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2cc(ccn2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C27H22F3N3O2/c1-17-4-3-5-18(2)25(17)33-26(34)20-6-10-22(11-7-20)32-24-16-21(14-15-31-24)19-8-12-23(13-9-19)35-27(28,29)30/h3-16H,1-2H3,(H,31,32)(H,33,34)
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n/an/a 1.60n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443890
PNG
(CHEMBL3091551)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(F)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H20F4N4O2/c1-15-4-3-5-16(2)22(15)33-24(35)18-6-10-19(11-7-18)32-25-31-14-21(27)23(34-25)17-8-12-20(13-9-17)36-26(28,29)30/h3-14H,1-2H3,(H,33,35)(H,31,32,34)
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n/an/a 1.60n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443915
PNG
(CHEMBL3091734)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H23FN4O/c1-16-5-4-6-17(2)23(16)30-25(32)20-9-13-22(14-10-20)29-26-28-15-18(3)24(31-26)19-7-11-21(27)12-8-19/h4-15H,1-3H3,(H,30,32)(H,28,29,31)
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n/an/a 2.20n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443897
PNG
(CHEMBL3091571)
Show SMILES Cc1cnc(Nc2ccc(cc2)C(=O)NC2CCCCC2)nc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H25F3N4O2/c1-16-15-29-24(32-22(16)17-9-13-21(14-10-17)34-25(26,27)28)31-20-11-7-18(8-12-20)23(33)30-19-5-3-2-4-6-19/h7-15,19H,2-6H2,1H3,(H,30,33)(H,29,31,32)
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n/an/a 2.20n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443900
PNG
(CHEMBL3091568)
Show SMILES CN1CCN(Cc2cccc(NC(=O)c3ccc(Nc4ncc(C)c(n4)-c4ccc(OC(F)(F)F)cc4)cc3)c2)CC1
Show InChI InChI=1S/C31H31F3N6O2/c1-21-19-35-30(38-28(21)23-8-12-27(13-9-23)42-31(32,33)34)37-25-10-6-24(7-11-25)29(41)36-26-5-3-4-22(18-26)20-40-16-14-39(2)15-17-40/h3-13,18-19H,14-17,20H2,1-2H3,(H,36,41)(H,35,37,38)
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n/an/a 2.30n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443905
PNG
(CHEMBL3091563)
Show SMILES CN(c1ccc(cc1)C(=O)Nc1c(C)cccc1C)c1ncc(C)c(n1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N4O2/c1-17-6-5-7-18(2)24(17)33-26(36)21-8-12-22(13-9-21)35(4)27-32-16-19(3)25(34-27)20-10-14-23(15-11-20)37-28(29,30)31/h5-16H,1-4H3,(H,33,36)
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n/an/a 2.70n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443917
PNG
(CHEMBL3091732)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C27H23N5O/c1-17-5-4-6-18(2)24(17)31-26(33)22-11-13-23(14-12-22)30-27-29-16-19(3)25(32-27)21-9-7-20(15-28)8-10-21/h4-14,16H,1-3H3,(H,31,33)(H,29,30,32)
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n/an/a 2.80n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50421186
PNG
(CHEMBL2086800)
Show SMILES COc1c(C(=O)NCCN2CCCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C28H30N4O4/c1-30-24-20-12-6-7-13-21(20)32(18-22(33)19-10-4-3-5-11-19)28(35)23(24)26(36-2)25(30)27(34)29-14-17-31-15-8-9-16-31/h3-7,10-13H,8-9,14-18H2,1-2H3,(H,29,34)
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n/an/a 2.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50401323
PNG
(CHEMBL2205230)
Show SMILES CCc1cc2n(C)c(C(=O)NC3CCN(CC3)C(=O)CO)c(OCC(F)(F)F)c2c(=O)n1CC(=O)c1ccccc1
Show InChI InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)
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n/an/a 4.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase re...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50401324
PNG
(CHEMBL2205229)
Show SMILES CCc1cc2n(C)c(C(=O)NC3CCN(CC3)C(=O)CO)c(OCC(F)F)c2c(=O)n1CC(=O)c1ccccc1
Show InChI InChI=1S/C28H32F2N4O6/c1-3-19-13-20-24(28(39)34(19)14-21(36)17-7-5-4-6-8-17)26(40-16-22(29)30)25(32(20)2)27(38)31-18-9-11-33(12-10-18)23(37)15-35/h4-8,13,18,22,35H,3,9-12,14-16H2,1-2H3,(H,31,38)
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n/an/a 4.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase re...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50401328
PNG
(CHEMBL2087239)
Show SMILES COc1c(C(=O)NC2CCN(CC2)C(=O)CO)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C29H30N4O6/c1-31-25-20-10-6-7-11-21(20)33(16-22(35)18-8-4-3-5-9-18)29(38)24(25)27(39-2)26(31)28(37)30-19-12-14-32(15-13-19)23(36)17-34/h3-11,19,34H,12-17H2,1-2H3,(H,30,37)
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50401328
PNG
(CHEMBL2087239)
Show SMILES COc1c(C(=O)NC2CCN(CC2)C(=O)CO)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C29H30N4O6/c1-31-25-20-10-6-7-11-21(20)33(16-22(35)18-8-4-3-5-9-18)29(38)24(25)27(39-2)26(31)28(37)30-19-12-14-32(15-13-19)23(36)17-34/h3-11,19,34H,12-17H2,1-2H3,(H,30,37)
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase re...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50401325
PNG
(CHEMBL2205228)
Show SMILES CCc1cc2n(C)c(C(=O)NC3CCN(CC3)C(=O)CO)c(OCCF)c2c(=O)n1CC(=O)c1ccccc1
Show InChI InChI=1S/C28H33FN4O6/c1-3-20-15-21-24(28(38)33(20)16-22(35)18-7-5-4-6-8-18)26(39-14-11-29)25(31(21)2)27(37)30-19-9-12-32(13-10-19)23(36)17-34/h4-8,15,19,34H,3,9-14,16-17H2,1-2H3,(H,30,37)
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n/an/a 4.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase re...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50421184
PNG
(CHEMBL2086798)
Show SMILES COc1c(sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H27N3O4S/c1-34-23-22-24(35-25(23)26(32)28-13-16-29-14-7-8-15-29)19-11-5-6-12-20(19)30(27(22)33)17-21(31)18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-17H2,1H3,(H,28,32)
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n/an/a 5.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443888
PNG
(CHEMBL3091553)
Show SMILES CCc1cnc(Nc2ccc(cc2)C(=O)Nc2c(C)cccc2C)nc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N4O2/c1-4-19-16-32-27(35-25(19)20-10-14-23(15-11-20)37-28(29,30)31)33-22-12-8-21(9-13-22)26(36)34-24-17(2)6-5-7-18(24)3/h5-16H,4H2,1-3H3,(H,34,36)(H,32,33,35)
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n/an/a 5.30n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50394562
PNG
(ERISMODEGIB | LDE225)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(c2C)-c2ccc(OC(F)(F)F)cc2)cn1
Show InChI InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+
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n/an/a 5.5n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50401329
PNG
(CHEMBL2205225)
Show SMILES CCc1cc2n(C)c(C(=O)NC3CCN(CC3)C(=O)CO)c(OC)c2c(=O)n1CC(=O)c1ccccc1
Show InChI InChI=1S/C27H32N4O6/c1-4-19-14-20-23(27(36)31(19)15-21(33)17-8-6-5-7-9-17)25(37-3)24(29(20)2)26(35)28-18-10-12-30(13-11-18)22(34)16-32/h5-9,14,18,32H,4,10-13,15-16H2,1-3H3,(H,28,35)
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n/an/a 5.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase re...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50421190
PNG
(CHEMBL2086805)
Show SMILES COc1c(C(=O)NC2CCN(CCO)CC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C29H32N4O5/c1-31-25-21-10-6-7-11-22(21)33(18-23(35)19-8-4-3-5-9-19)29(37)24(25)27(38-2)26(31)28(36)30-20-12-14-32(15-13-20)16-17-34/h3-11,20,34H,12-18H2,1-2H3,(H,30,36)
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n/an/a 6.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50401326
PNG
(CHEMBL2205227)
Show SMILES CCOc1c(C(=O)NC2CCN(CC2)C(=O)CO)n(C)c2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12
Show InChI InChI=1S/C28H34N4O6/c1-4-20-15-21-24(28(37)32(20)16-22(34)18-9-7-6-8-10-18)26(38-5-2)25(30(21)3)27(36)29-19-11-13-31(14-12-19)23(35)17-33/h6-10,15,19,33H,4-5,11-14,16-17H2,1-3H3,(H,29,36)
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n/an/a 6.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase re...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50421187
PNG
(CHEMBL2086801)
Show SMILES CCOc1c(C(=O)NCCN2CCCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C29H32N4O4/c1-3-37-27-24-25(31(2)26(27)28(35)30-15-18-32-16-9-10-17-32)21-13-7-8-14-22(21)33(29(24)36)19-23(34)20-11-5-4-6-12-20/h4-8,11-14H,3,9-10,15-19H2,1-2H3,(H,30,35)
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n/an/a 7n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...


Citation and Details
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 7.20n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50302111
PNG
(CHEMBL572255 | N-(4-chloro-3-(1-methyl-1H-benzo[d]...)
Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C)C(F)(F)F
Show InChI InChI=1S/C22H16ClF3N4O/c1-12-14(8-10-19(27-12)22(24,25)26)21(31)28-13-7-9-16(23)15(11-13)20-29-17-5-3-4-6-18(17)30(20)2/h3-11H,1-2H3,(H,28,31)
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n/an/a 9n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50421193
PNG
(CHEMBL2086802)
Show SMILES COc1c(C(=O)NCCN2CCCCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C29H32N4O4/c1-31-25-21-13-7-8-14-22(21)33(19-23(34)20-11-5-3-6-12-20)29(36)24(25)27(37-2)26(31)28(35)30-15-18-32-16-9-4-10-17-32/h3,5-8,11-14H,4,9-10,15-19H2,1-2H3,(H,30,35)
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n/an/a 9.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443910
PNG
(CHEMBL3091558)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C24H24N6O/c1-15-6-5-7-16(2)21(15)28-23(31)18-8-10-20(11-9-18)27-24-25-12-17(3)22(29-24)19-13-26-30(4)14-19/h5-14H,1-4H3,(H,28,31)(H,25,27,29)
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n/an/a 11n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50302139
PNG
(CHEMBL570273 | N-(3-(1H-benzo[d]imidazol-2-yl)-4-c...)
Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H14ClF3N4O/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19/h2-10H,1H3,(H,27,30)(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay


Citation and Details
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 13n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay


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Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50401330
PNG
(CHEMBL2205224)
Show SMILES COc1c(C(=O)NC2CCN(CC2)C(=O)CO)n(C)c2cc(C)n(CC(=O)c3ccccc3)c(=O)c12
Show InChI InChI=1S/C26H30N4O6/c1-16-13-19-22(26(35)30(16)14-20(32)17-7-5-4-6-8-17)24(36-3)23(28(19)2)25(34)27-18-9-11-29(12-10-18)21(33)15-31/h4-8,13,18,31H,9-12,14-15H2,1-3H3,(H,27,34)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase re...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443909
PNG
(CHEMBL3091559)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccoc2)cc1
Show InChI InChI=1S/C24H22N4O2/c1-15-5-4-6-16(2)21(15)27-23(29)18-7-9-20(10-8-18)26-24-25-13-17(3)22(28-24)19-11-12-30-14-19/h4-14H,1-3H3,(H,27,29)(H,25,26,28)
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n/an/a 16n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443916
PNG
(CHEMBL3091733)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(cc2)N2CCOCC2)cc1
Show InChI InChI=1S/C30H31N5O2/c1-20-5-4-6-21(2)27(20)33-29(36)24-7-11-25(12-8-24)32-30-31-19-22(3)28(34-30)23-9-13-26(14-10-23)35-15-17-37-18-16-35/h4-14,19H,15-18H2,1-3H3,(H,33,36)(H,31,32,34)
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n/an/a 20n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50421189
PNG
(CHEMBL2086804)
Show SMILES COc1c(C(=O)NC2CCNCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C27H28N4O4/c1-30-23-19-10-6-7-11-20(19)31(16-21(32)17-8-4-3-5-9-17)27(34)22(23)25(35-2)24(30)26(33)29-18-12-14-28-15-13-18/h3-11,18,28H,12-16H2,1-2H3,(H,29,33)
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n/an/a 21n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50421188
PNG
(CHEMBL2086803)
Show SMILES COc1c(C(=O)NCCN2CCOCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C28H30N4O5/c1-30-24-20-10-6-7-11-21(20)32(18-22(33)19-8-4-3-5-9-19)28(35)23(24)26(36-2)25(30)27(34)29-12-13-31-14-16-37-17-15-31/h3-11H,12-18H2,1-2H3,(H,29,34)
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n/an/a 22n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...


Citation and Details
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50443886
PNG
(CHEMBL3091555)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2cccc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C27H22F3N3O2/c1-17-5-3-6-18(2)25(17)33-26(34)20-9-13-21(14-10-20)31-24-8-4-7-23(32-24)19-11-15-22(16-12-19)35-27(28,29)30/h3-16H,1-2H3,(H,31,32)(H,33,34)
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n/an/a 23n/an/an/an/an/an/a



Jiangsu Simcere Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
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