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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'aaron' and Initial = 'w'   
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
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320340
PNG
((R)-(3-methyl-4-(4-p-tolylphthalazin-1-yl)piperazi...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(C)cc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O/c1-19-12-14-21(15-13-19)25-23-10-6-7-11-24(23)26(29-28-25)31-17-16-30(18-20(31)2)27(32)22-8-4-3-5-9-22/h3-15,20H,16-18H2,1-2H3/t20-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
BDBM50320341
PNG
((R)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C26H23ClN4O/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-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
BDBM50320339
PNG
((R)-(4-(4-(4-cyclopropylphenyl)phthalazin-1-yl)-3-...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C2CC2)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C29H28N4O/c1-20-19-32(29(34)24-7-3-2-4-8-24)17-18-33(20)28-26-10-6-5-9-25(26)27(30-31-28)23-15-13-22(14-16-23)21-11-12-21/h2-10,13-16,20-21H,11-12,17-19H2,1H3/t20-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
BDBM50320335
PNG
((R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthala...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C#N)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H23N5O/c1-19-18-31(27(33)22-7-3-2-4-8-22)15-16-32(19)26-24-10-6-5-9-23(24)25(29-30-26)21-13-11-20(17-28)12-14-21/h2-14,19H,15-16,18H2,1H3/t19-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320345
PNG
((S)-(2-methyl-4-(4-p-tolylphthalazin-1-yl)piperazi...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C27H26N4O/c1-19-12-14-21(15-13-19)25-23-10-6-7-11-24(23)26(29-28-25)30-16-17-31(20(2)18-30)27(32)22-8-4-3-5-9-22/h3-15,20H,16-18H2,1-2H3/t20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
BDBM50320342
PNG
((S)-(2-methyl-4-(4-(4-(trifluoromethyl)phenyl)phth...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(cc2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C27H23F3N4O/c1-18-17-33(15-16-34(18)26(35)20-7-3-2-4-8-20)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-/m0/s1
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PubMed
n/an/a 3.60n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320355
PNG
(CHEMBL1085503 | phenyl(4-(4-p-tolylphthalazin-1-yl...)
Show SMILES Cc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H24N4O/c1-19-11-13-20(14-12-19)24-22-9-5-6-10-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)21-7-3-2-4-8-21/h2-14H,15-18H2,1H3
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n/an/a 4.40n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
BDBM50320356
PNG
((4-(4-(4-chlorophenyl)phthalazin-1-yl)piperazin-1-...)
Show SMILES Clc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21ClN4O/c26-20-12-10-18(11-13-20)23-21-8-4-5-9-22(21)24(28-27-23)29-14-16-30(17-15-29)25(31)19-6-2-1-3-7-19/h1-13H,14-17H2
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n/an/a 5.20n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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 5.20n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
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))
BDBM50320361
PNG
((S)-(2-methyl-4-(4-phenylphthalazin-1-yl)piperazin...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H24N4O/c1-19-18-29(16-17-30(19)26(31)21-12-6-3-7-13-21)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

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
BDBM50352936
PNG
(CHEMBL1824915)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C25H18ClNO/c26-24-12-5-4-11-23(24)25(28)27-22-15-13-19(14-16-22)21-10-6-9-20(17-21)18-7-2-1-3-8-18/h1-17H,(H,27,28)
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n/an/a 6.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay


Bioorg Med Chem Lett 21: 5206-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.052
BindingDB Entry DOI: 10.7270/Q2N58MRK
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320344
PNG
((S)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-2-methy...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C26H23ClN4O/c1-18-17-30(15-16-31(18)26(32)20-7-3-2-4-8-20)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 7n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50352935
PNG
(CHEMBL1824916)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccccc1
Show InChI InChI=1S/C24H17ClN2O/c25-22-9-5-4-8-21(22)24(28)27-20-12-10-18(11-13-20)23-16-19(14-15-26-23)17-6-2-1-3-7-17/h1-16H,(H,27,28)
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n/an/a 7.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay


Bioorg Med Chem Lett 21: 5206-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.052
BindingDB Entry DOI: 10.7270/Q2N58MRK
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320338
PNG
((R)-(4-(4-(4-isopropylphenyl)phthalazin-1-yl)-3-me...)
Show SMILES CC(C)c1ccc(cc1)-c1nnc(N2CCN(C[C@H]2C)C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H30N4O/c1-20(2)22-13-15-23(16-14-22)27-25-11-7-8-12-26(25)28(31-30-27)33-18-17-32(19-21(33)3)29(34)24-9-5-4-6-10-24/h4-16,20-21H,17-19H2,1-3H3/t21-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
BDBM50320364
PNG
((4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(thiazo...)
Show SMILES O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1nccs1
Show InChI InChI=1S/C22H19N5OS/c28-22(21-23-10-15-29-21)27-13-11-26(12-14-27)20-18-9-5-4-8-17(18)19(24-25-20)16-6-2-1-3-7-16/h1-10,15H,11-14H2
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n/an/a 9.5n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320337
PNG
((R)-(4-(4-(4-tert-butylphenyl)phthalazin-1-yl)-3-m...)
Show SMILES C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(C)(C)C)c2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O/c1-21-20-33(29(35)23-10-6-5-7-11-23)18-19-34(21)28-26-13-9-8-12-25(26)27(31-32-28)22-14-16-24(17-15-22)30(2,3)4/h5-17,21H,18-20H2,1-4H3/t21-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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 11n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320353
PNG
((4-(4-(4-fluorophenyl)phthalazin-1-yl)piperazin-1-...)
Show SMILES Fc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H21FN4O/c26-20-12-10-18(11-13-20)23-21-8-4-5-9-22(21)24(28-27-23)29-14-16-30(17-15-29)25(31)19-6-2-1-3-7-19/h1-13H,14-17H2
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n/an/a 11n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
BDBM50320343
PNG
((S)-(4-(4-(4-fluorophenyl)phthalazin-1-yl)-2-methy...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C26H23FN4O/c1-18-17-30(15-16-31(18)26(32)20-7-3-2-4-8-20)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

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320360
PNG
((R)-(2-methyl-4-(4-phenylphthalazin-1-yl)piperazin...)
Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H24N4O/c1-19-18-29(16-17-30(19)26(31)21-12-6-3-7-13-21)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 13n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50352948
PNG
(CHEMBL1824904)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H15ClN2O2/c21-18-9-5-4-8-17(18)20(25)23-16-12-10-15(11-13-16)22-19(24)14-6-2-1-3-7-14/h1-13H,(H,22,24)(H,23,25)
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay


Bioorg Med Chem Lett 21: 5206-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.052
BindingDB Entry DOI: 10.7270/Q2N58MRK
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320365
PNG
(CHEMBL1083103 | furan-2-yl(4-(4-phenylphthalazin-1...)
Show SMILES O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1ccco1
Show InChI InChI=1S/C23H20N4O2/c28-23(20-11-6-16-29-20)27-14-12-26(13-15-27)22-19-10-5-4-9-18(19)21(24-25-22)17-7-2-1-3-8-17/h1-11,16H,12-15H2
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n/an/a 13n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50352947
PNG
(CHEMBL1824905)
Show SMILES OC(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1
Show InChI InChI=1S/C21H18ClNO2/c22-19-9-5-4-8-18(19)21(25)23-17-12-10-15(11-13-17)14-20(24)16-6-2-1-3-7-16/h1-13,20,24H,14H2,(H,23,25)
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay


Bioorg Med Chem Lett 21: 5206-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.052
BindingDB Entry DOI: 10.7270/Q2N58MRK
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320354
PNG
((4-(4-(4-methoxyphenyl)phthalazin-1-yl)piperazin-1...)
Show SMILES COc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H24N4O2/c1-32-21-13-11-19(12-14-21)24-22-9-5-6-10-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3
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n/an/a 15n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50320350
PNG
(CHEMBL1082387 | phenyl(4-(4-o-tolylphthalazin-1-yl...)
Show SMILES Cc1ccccc1-c1nnc(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H24N4O/c1-19-9-5-6-12-21(19)24-22-13-7-8-14-23(22)25(28-27-24)29-15-17-30(18-16-29)26(31)20-10-3-2-4-11-20/h2-14H,15-18H2,1H3
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n/an/a 15n/an/an/an/an/an/a



AMGEN

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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))
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

Curated by ChEMBL


Assay Description
Inhibition of human SMO expressed in HEPM cells


Bioorg Med Chem Lett 20: 3618-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.110
BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50352943
PNG
(CHEMBL1824909)
Show SMILES FC(F)(F)c1oc(nc1-c1ccccc1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C23H14ClF3N2O2/c24-18-9-5-4-8-17(18)21(30)28-16-12-10-15(11-13-16)22-29-19(14-6-2-1-3-7-14)20(31-22)23(25,26)27/h1-13H,(H,28,30)
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter ge...


Bioorg Med Chem Lett 21: 5206-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.052
BindingDB Entry DOI: 10.7270/Q2N58MRK
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))
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
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