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PubMed code 20594845

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
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
Smoothened homolog


(Mus musculus)
BDBM50320369
PNG
((R)-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)phth...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H23F3N4O/c1-18-17-33(26(35)20-7-3-2-4-8-20)15-16-34(18)25-23-10-6-5-9-22(23)24(31-32-25)19-11-13-21(14-12-19)27(28,29)30/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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n/an/a 0.00200n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene ...


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50323147
PNG
((R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyri...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccncc12)C(=O)c1ccccc1
Show InChI InChI=1S/C26H22F3N5O/c1-17-16-33(25(35)19-5-3-2-4-6-19)13-14-34(17)24-22-15-30-12-11-21(22)23(31-32-24)18-7-9-20(10-8-18)26(27,28)29/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene ...


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323147
PNG
((R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyri...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccncc12)C(=O)c1ccccc1
Show InChI InChI=1S/C26H22F3N5O/c1-17-16-33(25(35)19-5-3-2-4-6-19)13-14-34(17)24-22-15-30-12-11-21(22)23(31-32-24)18-7-9-20(10-8-18)26(27,28)29/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320358
PNG
((R)-(3-methyl-4-(4-phenylphthalazin-1-yl)piperazin...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C26H24N4O/c1-19-18-29(26(31)21-12-6-3-7-13-21)16-17-30(19)25-23-15-9-8-14-22(23)24(27-28-25)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3/t19-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320336
PNG
((R)-(4-(4-(4-(hydroxymethyl)phenyl)phthalazin-1-yl...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c1-19-17-30(27(33)22-7-3-2-4-8-22)15-16-31(19)26-24-10-6-5-9-23(24)25(28-29-26)21-13-11-20(18-32)12-14-21/h2-14,19,32H,15-18H2,1H3/t19-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320369
PNG
((R)-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)phth...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H23F3N4O/c1-18-17-33(26(35)20-7-3-2-4-8-20)15-16-34(18)25-23-10-6-5-9-22(23)24(31-32-25)19-11-13-21(14-12-19)27(28,29)30/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50323146
PNG
((R)-(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccncc12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-18-17-29(25(31)20-10-6-3-7-11-20)14-15-30(18)24-22-16-26-13-12-21(22)23(27-28-24)19-8-4-2-5-9-19/h2-13,16,18H,14-15,17H2,1H3/t18-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene ...


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323132
PNG
((R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthala...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(OC(C)=O)cc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O3/c1-19-18-31(28(34)22-8-4-3-5-9-22)16-17-32(19)27-25-11-7-6-10-24(25)26(29-30-27)21-12-14-23(15-13-21)35-20(2)33/h3-15,19H,16-18H2,1-2H3/t19-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323133
PNG
((R)-2-(4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phth...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(CC(N)=O)cc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C28H27N5O2/c1-19-18-32(28(35)22-7-3-2-4-8-22)15-16-33(19)27-24-10-6-5-9-23(24)26(30-31-27)21-13-11-20(12-14-21)17-25(29)34/h2-14,19H,15-18H2,1H3,(H2,29,34)/t19-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320359
PNG
((S)-(3-methyl-4-(4-phenylphthalazin-1-yl)piperazin...)
Show SMILES C[C@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C26H24N4O/c1-19-18-29(26(31)21-12-6-3-7-13-21)16-17-30(19)25-23-15-9-8-14-22(23)24(27-28-25)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3/t19-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320334
PNG
((R)-(4-(4-(4-(dimethylamino)phenyl)phthalazin-1-yl...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)N(C)C)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C28H29N5O/c1-20-19-32(28(34)22-9-5-4-6-10-22)17-18-33(20)27-25-12-8-7-11-24(25)26(29-30-27)21-13-15-23(16-14-21)31(2)3/h4-16,20H,17-19H2,1-3H3/t20-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323146
PNG
((R)-(3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ccncc12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-18-17-29(25(31)20-10-6-3-7-11-20)14-15-30(18)24-22-16-26-13-12-21(22)23(27-28-24)19-8-4-2-5-9-19/h2-13,16,18H,14-15,17H2,1H3/t18-/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323138
PNG
((R)-(4-(4-(indolin-1-yl)phthalazin-1-yl)-3-methylp...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-n2ccc3ccccc23)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C28H25N5O/c1-20-19-31(28(34)22-10-3-2-4-11-22)17-18-32(20)26-23-12-6-7-13-24(23)27(30-29-26)33-16-15-21-9-5-8-14-25(21)33/h2-16,20H,17-19H2,1H3/t20-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323137
PNG
((R)-(4-(4-(1H-pyrrol-1-yl)phthalazin-1-yl)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-n2cccc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H23N5O/c1-18-17-28(24(30)19-9-3-2-4-10-19)15-16-29(18)23-21-12-6-5-11-20(21)22(25-26-23)27-13-7-8-14-27/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323145
PNG
((R)-(3-methyl-4-(4-phenylpyrido[4,3-d]pyridazin-1-...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2cnccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-18-17-29(25(31)20-10-6-3-7-11-20)14-15-30(18)24-21-12-13-26-16-22(21)23(27-28-24)19-8-4-2-5-9-19/h2-13,16,18H,14-15,17H2,1H3/t18-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323128
PNG
((S)-(4-(4-(4-fluorophenyl)phthalazin-1-yl)-3-methy...)
Show SMILES C[C@H]1CN(CCN1c1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C26H23FN4O/c1-18-17-30(26(32)20-7-3-2-4-8-20)15-16-31(18)25-23-10-6-5-9-22(23)24(28-29-25)19-11-13-21(27)14-12-19/h2-14,18H,15-17H2,1H3/t18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323144
PNG
((R)-(3-methyl-4-(5-phenylpyrido[2,3-d]pyridazin-8-...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2cccnc12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-18-17-29(25(31)20-11-6-3-7-12-20)15-16-30(18)24-23-21(13-8-14-26-23)22(27-28-24)19-9-4-2-5-10-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320357
PNG
((4-(4-(3,4-dichlorophenyl)phthalazin-1-yl)piperazi...)
Show SMILES Clc1ccc(cc1Cl)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H20Cl2N4O/c26-21-11-10-18(16-22(21)27)23-19-8-4-5-9-20(19)24(29-28-23)30-12-14-31(15-13-30)25(32)17-6-2-1-3-7-17/h1-11,16H,12-15H2
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n/an/a 17n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320362
PNG
(CHEMBL1082791 | phenyl(4-(4-phenylphthalazin-1-yl)...)
Show SMILES O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H22N4O/c30-25(20-11-5-2-6-12-20)29-17-15-28(16-18-29)24-22-14-8-7-13-21(22)23(26-27-24)19-9-3-1-4-10-19/h1-14H,15-18H2
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n/an/a 19n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323129
PNG
((R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthala...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(N)=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H25N5O2/c1-18-17-31(27(34)21-7-3-2-4-8-21)15-16-32(18)26-23-10-6-5-9-22(23)24(29-30-26)19-11-13-20(14-12-19)25(28)33/h2-14,18H,15-17H2,1H3,(H2,28,33)/t18-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323130
PNG
((R)-(3-methyl-4-(4-(4-morpholinophenyl)phthalazin-...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)N2CCOCC2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C30H31N5O2/c1-22-21-34(30(36)24-7-3-2-4-8-24)15-16-35(22)29-27-10-6-5-9-26(27)28(31-32-29)23-11-13-25(14-12-23)33-17-19-37-20-18-33/h2-14,22H,15-21H2,1H3/t22-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323134
PNG
((R)-(3-methyl-4-(4-(pyridin-4-yl)phthalazin-1-yl)p...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccncc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-18-17-29(25(31)20-7-3-2-4-8-20)15-16-30(18)24-22-10-6-5-9-21(22)23(27-28-24)19-11-13-26-14-12-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323136
PNG
((R)-(3-methyl-4-(4-(pyridin-2-yl)phthalazin-1-yl)p...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccccn2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-18-17-29(25(31)19-9-3-2-4-10-19)15-16-30(18)24-21-12-6-5-11-20(21)23(27-28-24)22-13-7-8-14-26-22/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323143
PNG
((R)-(3-methyl-4-(8-phenylpyrido[3,2-d]pyridazin-5-...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccccc2)c2ncccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-18-17-29(25(31)20-11-6-3-7-12-20)15-16-30(18)24-21-13-8-14-26-23(21)22(27-28-24)19-9-4-2-5-10-19/h2-14,18H,15-17H2,1H3/t18-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323135
PNG
((R)-(3-methyl-4-(4-(pyridin-3-yl)phthalazin-1-yl)p...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2cccnc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-18-17-29(25(31)19-8-3-2-4-9-19)14-15-30(18)24-22-12-6-5-11-21(22)23(27-28-24)20-10-7-13-26-16-20/h2-13,16,18H,14-15,17H2,1H3/t18-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323142
PNG
((R)-(4-(4-(pyrimidin-5-yl)phthalazin-1-yl)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2cncnc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H22N6O/c1-17-15-29(24(31)18-7-3-2-4-8-18)11-12-30(17)23-21-10-6-5-9-20(21)22(27-28-23)19-13-25-16-26-14-19/h2-10,13-14,16-17H,11-12,15H2,1H3/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323141
PNG
((R)-(3-methyl-4-(4-(pyridazin-1(2H)-yl)phthalazin-...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(N2C=CCC=N2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C24H24N6O/c1-18-17-28(24(31)19-9-3-2-4-10-19)15-16-29(18)22-20-11-5-6-12-21(20)23(27-26-22)30-14-8-7-13-25-30/h2-6,8-14,18H,7,15-17H2,1H3/t18-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323139
PNG
((R)-(4-(4-(furan-2-yl)phthalazin-1-yl)-3-methylpip...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ncco2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H21N5O2/c1-16-15-27(23(29)17-7-3-2-4-8-17)12-13-28(16)21-19-10-6-5-9-18(19)20(25-26-21)22-24-11-14-30-22/h2-11,14,16H,12-13,15H2,1H3/t16-/m1/s1
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Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323131
PNG
((R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthala...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(O)=O)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H24N4O3/c1-18-17-30(26(32)20-7-3-2-4-8-20)15-16-31(18)25-23-10-6-5-9-22(23)24(28-29-25)19-11-13-21(14-12-19)27(33)34/h2-14,18H,15-17H2,1H3,(H,33,34)/t18-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50323140
PNG
((R)-(4-(4-(1H-imidazol-1-yl)phthalazin-1-yl)-3-met...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-n2ccnc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C23H22N6O/c1-17-15-27(23(30)18-7-3-2-4-8-18)13-14-29(17)22-20-10-6-5-9-19(20)21(25-26-22)28-12-11-24-16-28/h2-12,16-17H,13-15H2,1H3/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay


Bioorg Med Chem Lett 20: 4607-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.006
BindingDB Entry DOI: 10.7270/Q2H13268
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%