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Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'davies' and Initial = 'ke'   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50519637
PNG
(CHEMBL4550375)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2[C@H](O)[C@@H](O)C=Cc2c1 |r,c:24|
Show InChI InChI=1S/C19H17NO5S/c1-2-26(23,24)13-5-8-17-15(10-13)20-19(25-17)12-3-6-14-11(9-12)4-7-16(21)18(14)22/h3-10,16,18,21-22H,2H2,1H3/t16-,18-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of monoamino oxidase B (unknown origin)


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50519636
PNG
(BMN 195 | BMN-195 | Ezutromid | SMT-C1100 | SMTC-1...)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens (Human))
BDBM50519637
PNG
(CHEMBL4550375)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2[C@H](O)[C@@H](O)C=Cc2c1 |r,c:24|
Show InChI InChI=1S/C19H17NO5S/c1-2-26(23,24)13-5-8-17-15(10-13)20-19(25-17)12-3-6-14-11(9-12)4-7-16(21)18(14)22/h3-10,16,18,21-22H,2H2,1H3/t16-,18-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of MATE1 (unknown origin)


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50519636
PNG
(BMN 195 | BMN-195 | Ezutromid | SMT-C1100 | SMTC-1...)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Activation of human utrophin-1 in mouse mdx myoblasts by H2K-mdx utrnA-luc assay


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50519637
PNG
(CHEMBL4550375)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2[C@H](O)[C@@H](O)C=Cc2c1 |r,c:24|
Show InChI InChI=1S/C19H17NO5S/c1-2-26(23,24)13-5-8-17-15(10-13)20-19(25-17)12-3-6-14-11(9-12)4-7-16(21)18(14)22/h3-10,16,18,21-22H,2H2,1H3/t16-,18-/m0/s1
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University of Oxford

Curated by ChEMBL


Assay Description
Activation of human utrophin-1 in mouse mdx myoblasts by H2K-mdx utrnA-luc assay


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50519637
PNG
(CHEMBL4550375)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2[C@H](O)[C@@H](O)C=Cc2c1 |r,c:24|
Show InChI InChI=1S/C19H17NO5S/c1-2-26(23,24)13-5-8-17-15(10-13)20-19(25-17)12-3-6-14-11(9-12)4-7-16(21)18(14)22/h3-10,16,18,21-22H,2H2,1H3/t16-,18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Activation of human utrophin-1 in iDMD cells by HTRF assay


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50519638
PNG
(CHEMBL4442951)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2C=C[C@@H](O)[C@H](O)c2c1 |r,c:20|
Show InChI InChI=1S/C19H17NO5S/c1-2-26(23,24)13-6-8-17-15(10-13)20-19(25-17)12-4-3-11-5-7-16(21)18(22)14(11)9-12/h3-10,16,18,21-22H,2H2,1H3/t16-,18-/m1/s1
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n/an/an/an/a 8.35E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Activation of human utrophin-1 in iDMD cells by HTRF assay


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50519636
PNG
(BMN 195 | BMN-195 | Ezutromid | SMT-C1100 | SMTC-1...)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
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n/an/an/an/a 1.28E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Activation of human utrophin-1 in iDMD cells by HTRF assay


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50519638
PNG
(CHEMBL4442951)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2C=C[C@@H](O)[C@H](O)c2c1 |r,c:20|
Show InChI InChI=1S/C19H17NO5S/c1-2-26(23,24)13-6-8-17-15(10-13)20-19(25-17)12-4-3-11-5-7-16(21)18(22)14(11)9-12/h3-10,16,18,21-22H,2H2,1H3/t16-,18-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Activation of human utrophin-1 in mouse mdx myoblasts by H2K-mdx utrnA-luc assay


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50519636
PNG
(BMN 195 | BMN-195 | Ezutromid | SMT-C1100 | SMTC-1...)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
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n/an/an/an/a 187n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542742
PNG
(CHEMBL4639832)
Show SMILES CC(=O)Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H14N2O2/c1-12(22)20-16-8-9-18-17(11-16)21-19(23-18)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,1H3,(H,20,22)
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542743
PNG
(CHEMBL4637833)
Show SMILES CC(C)C(=O)Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18N2O2/c1-13(2)20(24)22-17-9-10-19-18(12-17)23-21(25-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H,22,24)
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542744
PNG
(CHEMBL4636035)
Show SMILES O=S1(=O)CCCN1c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16N2O3S/c23-26(24)11-3-10-22(26)17-8-9-19-18(13-17)21-20(25-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-9,12-13H,3,10-11H2
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542745
PNG
(CHEMBL4644129)
Show SMILES CNS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14N2O3S/c1-19-24(21,22)15-8-9-17-16(11-15)20-18(23-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,19H,1H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542746
PNG
(CHEMBL4639067)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18NO3P/c1-3-25(22,23-2)17-10-11-19-18(13-17)21-20(24-19)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,3H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542747
PNG
(CHEMBL4638445)
Show SMILES CCP(=O)(OC)c1ccc2nc(oc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18NO3P/c1-3-25(22,23-2)17-10-11-18-19(13-17)24-20(21-18)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,3H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542748
PNG
(CHEMBL4641041)
Show SMILES CCOP(=O)(CC)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20NO3P/c1-3-24-26(23,4-2)18-11-12-20-19(14-18)22-21(25-20)17-10-9-15-7-5-6-8-16(15)13-17/h5-14H,3-4H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542749
PNG
(CHEMBL4634557)
Show SMILES CCOP(=O)(CC)c1ccc2nc(oc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20NO3P/c1-3-24-26(23,4-2)18-11-12-19-20(14-18)25-21(22-19)17-10-9-15-7-5-6-8-16(15)13-17/h5-14H,3-4H2,1-2H3
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n/an/an/an/a 108n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542750
PNG
(CHEMBL4645628)
Show SMILES COP(=O)(C(C)C)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20NO3P/c1-14(2)26(23,24-3)18-10-11-20-19(13-18)22-21(25-20)17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542751
PNG
(CHEMBL4636283)
Show SMILES COP(=O)(C(C)C)c1ccc2nc(oc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20NO3P/c1-14(2)26(23,24-3)18-10-11-19-20(13-18)25-21(22-19)17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542752
PNG
(CHEMBL4637813)
Show SMILES COP(=O)(c1ccc2oc(nc2c1)-c1ccc2ccccc2c1)C(C)(C)C
Show InChI InChI=1S/C22H22NO3P/c1-22(2,3)27(24,25-4)18-11-12-20-19(14-18)23-21(26-20)17-10-9-15-7-5-6-8-16(15)13-17/h5-14H,1-4H3
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n/an/an/an/a 148n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542753
PNG
(CHEMBL4647136)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)15-8-9-18-17(11-15)21-19(24-18)14-10-13-6-4-5-7-16(13)20-12-14/h4-12H,3H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542754
PNG
(CHEMBL4635899)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc2ncccc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)15-7-9-18-17(12-15)21-19(24-18)14-6-8-16-13(11-14)5-4-10-20-16/h4-12H,3H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542755
PNG
(CHEMBL4644346)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc2cccnc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)15-8-9-18-17(12-15)21-19(24-18)14-7-6-13-5-4-10-20-16(13)11-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 157n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542756
PNG
(CHEMBL4646025)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc2ccncc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)16-6-7-18-17(11-16)21-19(24-18)14-5-4-13-8-9-20-12-15(13)10-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 332n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542757
PNG
(CHEMBL4641107)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc2cnccc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)16-6-7-18-17(11-16)21-19(24-18)14-4-5-15-12-20-9-8-13(15)10-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 1.14E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542758
PNG
(CHEMBL4643175)
Show SMILES CCP(=O)(OC)c1ccc2nc(oc2c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)15-8-9-17-18(11-15)24-19(21-17)14-10-13-6-4-5-7-16(13)20-12-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 71n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542759
PNG
(CHEMBL4638708)
Show SMILES CCP(=O)(OC)c1ccc2nc(oc2c1)-c1ccc2ncccc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)15-7-9-17-18(12-15)24-19(21-17)14-6-8-16-13(11-14)5-4-10-20-16/h4-12H,3H2,1-2H3
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n/an/an/an/a 85n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542760
PNG
(CHEMBL4638605)
Show SMILES CCP(=O)(OC)c1ccc2nc(oc2c1)-c1ccc2cccnc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)15-8-9-16-18(12-15)24-19(21-16)14-7-6-13-5-4-10-20-17(13)11-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 928n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542761
PNG
(CHEMBL4634003)
Show SMILES CCP(=O)(OC)c1ccc2nc(oc2c1)-c1ccc2ccncc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)16-6-7-17-18(11-16)24-19(21-17)14-5-4-13-8-9-20-12-15(13)10-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 1.14E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542762
PNG
(CHEMBL4646254)
Show SMILES CCP(=O)(OC)c1ccc2nc(oc2c1)-c1ccc2cnccc2c1
Show InChI InChI=1S/C19H17N2O3P/c1-3-25(22,23-2)16-6-7-17-18(11-16)24-19(21-17)14-4-5-15-12-20-9-8-13(15)10-14/h4-12H,3H2,1-2H3
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n/an/an/an/a 1.76E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542763
PNG
(CHEMBL4633235)
Show SMILES CCP(=O)(OC)c1ccc2oc(\C=C\c3ccccc3)nc2c1
Show InChI InChI=1S/C18H18NO3P/c1-3-23(20,21-2)15-10-11-17-16(13-15)19-18(22-17)12-9-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/b12-9+
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n/an/an/an/a 163n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542764
PNG
(CHEMBL4638463)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClNO3P/c1-3-22(19,20-2)13-8-9-15-14(10-13)18-16(21-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3
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n/an/an/an/a 112n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542765
PNG
(CHEMBL4638592)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-8-9-15-14(10-13)18-16(21-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542766
PNG
(CHEMBL4646039)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-7-8-15-14(10-13)18-16(21-15)11-5-4-6-12(17)9-11/h4-10H,3H2,1-2H3
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n/an/an/an/a 823n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542767
PNG
(CHEMBL4640211)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3NO3P/c1-3-25(22,23-2)13-8-9-15-14(10-13)21-16(24-15)11-4-6-12(7-5-11)17(18,19)20/h4-10H,3H2,1-2H3
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n/an/an/an/a 548n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542768
PNG
(CHEMBL4634268)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H15F3NO3P/c1-3-25(22,23-2)13-7-8-15-14(10-13)21-16(24-15)11-5-4-6-12(9-11)17(18,19)20/h4-10H,3H2,1-2H3
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n/an/an/an/a 1.28E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542769
PNG
(CHEMBL4642259)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H15F3NO3P/c1-3-25(22,23-2)11-8-9-15-14(10-11)21-16(24-15)12-6-4-5-7-13(12)17(18,19)20/h4-10H,3H2,1-2H3
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n/an/an/an/a 861n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542770
PNG
(CHEMBL4633558)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc(F)cc1F
Show InChI InChI=1S/C16H14F2NO3P/c1-3-23(20,21-2)11-5-7-15-14(9-11)19-16(22-15)12-6-4-10(17)8-13(12)18/h4-9H,3H2,1-2H3
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n/an/an/an/a 777n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542771
PNG
(CHEMBL4646007)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1cccc(Cl)c1F
Show InChI InChI=1S/C16H14ClFNO3P/c1-3-23(20,21-2)10-7-8-14-13(9-10)19-16(22-14)11-5-4-6-12(17)15(11)18/h4-9H,3H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542772
PNG
(CHEMBL4633264)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H14Cl2NO3P/c1-3-23(20,21-2)11-5-7-15-14(9-11)19-16(22-15)10-4-6-12(17)13(18)8-10/h4-9H,3H2,1-2H3
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n/an/an/an/a 118n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542773
PNG
(CHEMBL4645547)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl2NO3P/c1-3-23(20,21-2)10-7-8-14-13(9-10)19-16(22-14)11-5-4-6-12(17)15(11)18/h4-9H,3H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542774
PNG
(CHEMBL4636645)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1c(F)ccc(Cl)c1F
Show InChI InChI=1S/C16H13ClF2NO3P/c1-3-24(21,22-2)9-4-7-13-12(8-9)20-16(23-13)14-11(18)6-5-10(17)15(14)19/h4-8H,3H2,1-2H3
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n/an/an/an/a 1.77E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542775
PNG
(CHEMBL4638950)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C14H13ClNO3PS/c1-3-20(17,18-2)9-4-5-11-10(8-9)16-14(19-11)12-6-7-13(15)21-12/h4-8H,3H2,1-2H3
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n/an/an/an/a 168n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542776
PNG
(CHEMBL4635233)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1sccc1Cl
Show InChI InChI=1S/C14H13ClNO3PS/c1-3-20(17,18-2)9-4-5-12-11(8-9)16-14(19-12)13-10(15)6-7-21-13/h4-8H,3H2,1-2H3
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n/an/an/an/a 1.51E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542777
PNG
(CHEMBL4638190)
Show SMILES CCP(=O)(OC)c1ccc2oc(nc2c1)-c1ccc(o1)C(F)(F)F
Show InChI InChI=1S/C15H13F3NO4P/c1-3-24(20,21-2)9-4-5-11-10(8-9)19-14(23-11)12-6-7-13(22-12)15(16,17)18/h4-8H,3H2,1-2H3
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n/an/an/an/a 1.77E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542778
PNG
(CHEMBL4648719)
Show SMILES CCP(=O)(OC)c1ccc2nc(\C=C\c3ccccc3)oc2c1
Show InChI InChI=1S/C18H18NO3P/c1-3-23(20,21-2)15-10-11-16-17(13-15)22-18(19-16)12-9-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/b12-9+
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n/an/an/an/a 766n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542779
PNG
(CHEMBL4644181)
Show SMILES CCP(=O)(OC)c1ccc2nc(oc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-8-9-14-15(10-13)21-16(18-14)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3
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n/an/an/an/a 1.23E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50542780
PNG
(CHEMBL4637665)
Show SMILES CCP(=O)(OC)c1ccc2nc(oc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-7-8-14-15(10-13)21-16(18-14)11-5-4-6-12(17)9-11/h4-10H,3H2,1-2H3
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n/an/an/an/a 2.25E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
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