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PubMed code 18180158

Compile data set for download or QSAR
Found 20 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
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50373848
PNG
(CHEMBL255779)
Show SMILES Cc1cc2[nH]c(C(=O)NC3CCCCC3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C25H28N2O3/c1-16-14-22-21(15-20(16)25(29)30)19(13-12-17-8-4-2-5-9-17)23(27-22)24(28)26-18-10-6-3-7-11-18/h2,4-5,8-9,14-15,18,27H,3,6-7,10-13H2,1H3,(H,26,28)(H,29,30)
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n/an/a 2.30E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50373848
PNG
(CHEMBL255779)
Show SMILES Cc1cc2[nH]c(C(=O)NC3CCCCC3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C25H28N2O3/c1-16-14-22-21(15-20(16)25(29)30)19(13-12-17-8-4-2-5-9-17)23(27-22)24(28)26-18-10-6-3-7-11-18/h2,4-5,8-9,14-15,18,27H,3,6-7,10-13H2,1H3,(H,26,28)(H,29,30)
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n/an/a 4.90E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50373844
PNG
(CHEMBL272948)
Show SMILES COC(=O)c1cc2c(CCc3ccccc3)c([nH]c2cc1C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C26H30N2O3/c1-17-15-23-22(16-21(17)26(30)31-2)20(14-13-18-9-5-3-6-10-18)24(28-23)25(29)27-19-11-7-4-8-12-19/h3,5-6,9-10,15-16,19,28H,4,7-8,11-14H2,1-2H3,(H,27,29)
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n/an/a 5.70E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50373845
PNG
(CHEMBL402939)
Show SMILES Cc1cc2n(C)c(C(=O)NC3CCCCC3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C26H30N2O3/c1-17-15-23-22(16-21(17)26(30)31)20(14-13-18-9-5-3-6-10-18)24(28(23)2)25(29)27-19-11-7-4-8-12-19/h3,5-6,9-10,15-16,19H,4,7-8,11-14H2,1-2H3,(H,27,29)(H,30,31)
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n/an/a 7.80E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50373845
PNG
(CHEMBL402939)
Show SMILES Cc1cc2n(C)c(C(=O)NC3CCCCC3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C26H30N2O3/c1-17-15-23-22(16-21(17)26(30)31)20(14-13-18-9-5-3-6-10-18)24(28(23)2)25(29)27-19-11-7-4-8-12-19/h3,5-6,9-10,15-16,19H,4,7-8,11-14H2,1-2H3,(H,27,29)(H,30,31)
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n/an/a 9.20E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50373844
PNG
(CHEMBL272948)
Show SMILES COC(=O)c1cc2c(CCc3ccccc3)c([nH]c2cc1C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C26H30N2O3/c1-17-15-23-22(16-21(17)26(30)31-2)20(14-13-18-9-5-3-6-10-18)24(28-23)25(29)27-19-11-7-4-8-12-19/h3,5-6,9-10,15-16,19,28H,4,7-8,11-14H2,1-2H3,(H,27,29)
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n/an/a 9.70E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50373847
PNG
(CHEMBL256605)
Show SMILES Cc1cc2[nH]c(C(=O)NCC3CCCCC3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C26H30N2O3/c1-17-14-23-22(15-21(17)26(30)31)20(13-12-18-8-4-2-5-9-18)24(28-23)25(29)27-16-19-10-6-3-7-11-19/h2,4-5,8-9,14-15,19,28H,3,6-7,10-13,16H2,1H3,(H,27,29)(H,30,31)
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n/an/a 1.57E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50373851
PNG
(CHEMBL256431)
Show SMILES CCC(C)CNC(=O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O |w:2.2|
Show InChI InChI=1S/C24H28N2O3/c1-4-15(2)14-25-23(27)22-18(11-10-17-8-6-5-7-9-17)20-13-19(24(28)29)16(3)12-21(20)26-22/h5-9,12-13,15,26H,4,10-11,14H2,1-3H3,(H,25,27)(H,28,29)
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n/an/a 1.59E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50373851
PNG
(CHEMBL256431)
Show SMILES CCC(C)CNC(=O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O |w:2.2|
Show InChI InChI=1S/C24H28N2O3/c1-4-15(2)14-25-23(27)22-18(11-10-17-8-6-5-7-9-17)20-13-19(24(28)29)16(3)12-21(20)26-22/h5-9,12-13,15,26H,4,10-11,14H2,1-3H3,(H,25,27)(H,28,29)
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n/an/a 1.60E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50373846
PNG
(CHEMBL401537)
Show SMILES Cc1cc2[nH]c(C(=O)NCc3ccccc3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C26H24N2O3/c1-17-14-23-22(15-21(17)26(30)31)20(13-12-18-8-4-2-5-9-18)24(28-23)25(29)27-16-19-10-6-3-7-11-19/h2-11,14-15,28H,12-13,16H2,1H3,(H,27,29)(H,30,31)
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n/an/a 1.97E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50373846
PNG
(CHEMBL401537)
Show SMILES Cc1cc2[nH]c(C(=O)NCc3ccccc3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C26H24N2O3/c1-17-14-23-22(15-21(17)26(30)31)20(13-12-18-8-4-2-5-9-18)24(28-23)25(29)27-16-19-10-6-3-7-11-19/h2-11,14-15,28H,12-13,16H2,1H3,(H,27,29)(H,30,31)
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n/an/a 2.91E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50373847
PNG
(CHEMBL256605)
Show SMILES Cc1cc2[nH]c(C(=O)NCC3CCCCC3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C26H30N2O3/c1-17-14-23-22(15-21(17)26(30)31)20(13-12-18-8-4-2-5-9-18)24(28-23)25(29)27-16-19-10-6-3-7-11-19/h2,4-5,8-9,14-15,19,28H,3,6-7,10-13,16H2,1H3,(H,27,29)(H,30,31)
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n/an/a 3.09E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50373850
PNG
(CHEMBL404331)
Show SMILES Cc1cc2[nH]c(C(=O)NC(C)(C)C)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C23H26N2O3/c1-14-12-19-18(13-17(14)22(27)28)16(11-10-15-8-6-5-7-9-15)20(24-19)21(26)25-23(2,3)4/h5-9,12-13,24H,10-11H2,1-4H3,(H,25,26)(H,27,28)
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n/an/a>5.00E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50373843
PNG
(CHEMBL410400)
Show SMILES CCCNC(=O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H24N2O3/c1-3-11-23-21(25)20-16(10-9-15-7-5-4-6-8-15)18-13-17(22(26)27)14(2)12-19(18)24-20/h4-8,12-13,24H,3,9-11H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a>5.00E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50231890
PNG
(2-((2-carboxyethyl)carbamoyl)-6-methyl-3-phenethyl...)
Show SMILES Cc1cc2[nH]c(C(=O)NCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C22H22N2O5/c1-13-11-18-17(12-16(13)22(28)29)15(8-7-14-5-3-2-4-6-14)20(24-18)21(27)23-10-9-19(25)26/h2-6,11-12,24H,7-10H2,1H3,(H,23,27)(H,25,26)(H,28,29)
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n/an/a>5.00E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50373849
PNG
(CHEMBL255988)
Show SMILES Cc1cc2[nH]c(C(=O)NCC3CC3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-14-11-20-19(12-18(14)23(27)28)17(10-9-15-5-3-2-4-6-15)21(25-20)22(26)24-13-16-7-8-16/h2-6,11-12,16,25H,7-10,13H2,1H3,(H,24,26)(H,27,28)
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n/an/a>5.00E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50231890
PNG
(2-((2-carboxyethyl)carbamoyl)-6-methyl-3-phenethyl...)
Show SMILES Cc1cc2[nH]c(C(=O)NCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C22H22N2O5/c1-13-11-18-17(12-16(13)22(28)29)15(8-7-14-5-3-2-4-6-14)20(24-18)21(27)23-10-9-19(25)26/h2-6,11-12,24H,7-10H2,1H3,(H,23,27)(H,25,26)(H,28,29)
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n/an/a>5.00E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50373849
PNG
(CHEMBL255988)
Show SMILES Cc1cc2[nH]c(C(=O)NCC3CC3)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-14-11-20-19(12-18(14)23(27)28)17(10-9-15-5-3-2-4-6-15)21(25-20)22(26)24-13-16-7-8-16/h2-6,11-12,16,25H,7-10,13H2,1H3,(H,24,26)(H,27,28)
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n/an/a>5.00E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-3


(Homo sapiens (Human))		BDBM50373843
PNG
(CHEMBL410400)
Show SMILES CCCNC(=O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H24N2O3/c1-3-11-23-21(25)20-16(10-9-15-7-5-4-6-8-15)18-13-17(22(26)27)14(2)12-19(18)24-20/h4-8,12-13,24H,3,9-11H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a>5.00E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
Segment polarity protein dishevelled homolog DVL-1


(Homo sapiens (Human))		BDBM50373850
PNG
(CHEMBL404331)
Show SMILES Cc1cc2[nH]c(C(=O)NC(C)(C)C)c(CCc3ccccc3)c2cc1C(O)=O
Show InChI InChI=1S/C23H26N2O3/c1-14-12-19-18(13-17(14)22(27)28)16(11-10-15-8-6-5-7-9-15)20(24-19)21(26)25-23(2,3)4/h5-9,12-13,24H,10-11H2,1-4H3,(H,25,26)(H,27,28)
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n/an/a>5.00E+5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay

Bioorg Med Chem Lett 18: 946-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.039
BindingDB Entry DOI: 10.7270/Q25D8SPT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%