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PubMed code 23206862

Compile data set for download or QSAR
Found 22 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
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50394214
PNG
(CHEMBL2159162)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C19H21N3O3S/c1-2-26(23,24)15-8-9-16-17(12-15)21-19(20-16)22-10-11-25-18(13-22)14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,20,21)
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n/an/a 0.430n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424188
PNG
(CHEMBL2312079)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O3S/c1-2-28(26,27)18-12-13-19-20(14-18)24-22(23-19)21(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,23,24)
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n/an/a 2.60n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424182
PNG
(CHEMBL2312073)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3ccc(cc3)-c3ccccc3)[nH]c2c1
Show InChI InChI=1S/C21H18N2O3S/c1-2-27(24,25)18-12-13-19-20(14-18)23-21(22-19)26-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,22,23)
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n/an/a 2.80n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424184
PNG
(CHEMBL2312075)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3ccc(nc3)-c3ccccc3)[nH]c2c1
Show InChI InChI=1S/C20H17N3O3S/c1-2-27(24,25)16-9-11-18-19(12-16)23-20(22-18)26-15-8-10-17(21-13-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
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n/an/a 2.90n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424186
PNG
(CHEMBL2312077)
Show SMILES CCS(=O)(=O)c1ccc2nc(O[C@H]3CC[C@@H](CC3)c3ccccc3)[nH]c2c1 |r,wU:15.18,wD:12.11,(5.67,-36.01,;7.01,-36.78,;8.34,-36.01,;9.1,-34.67,;7.24,-34.91,;9.67,-36.78,;9.67,-38.32,;11,-39.09,;12.34,-38.32,;13.82,-38.79,;14.72,-37.53,;16.26,-37.52,;17.02,-36.18,;18.55,-36.17,;19.31,-34.84,;18.53,-33.51,;16.99,-33.52,;16.23,-34.86,;19.29,-32.17,;20.83,-32.16,;21.59,-30.82,;20.81,-29.49,;19.26,-29.51,;18.51,-30.85,;13.81,-36.29,;12.34,-36.77,;11,-36.01,)|
Show InChI InChI=1S/C21H24N2O3S/c1-2-27(24,25)18-12-13-19-20(14-18)23-21(22-19)26-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,12-14,16-17H,2,8-11H2,1H3,(H,22,23)/t16-,17-
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n/an/a 3.80n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424183
PNG
(CHEMBL2312074)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3ccc(cc3)-c3ccccn3)[nH]c2c1
Show InChI InChI=1S/C20H17N3O3S/c1-2-27(24,25)16-10-11-18-19(13-16)23-20(22-18)26-15-8-6-14(7-9-15)17-5-3-4-12-21-17/h3-13H,2H2,1H3,(H,22,23)
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n/an/a 4.10n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424175
PNG
(CHEMBL2312066)
Show SMILES CCS(=O)(=O)c1ccc2nc(OCC(F)(F)c3ccccc3)[nH]c2c1
Show InChI InChI=1S/C17H16F2N2O3S/c1-2-25(22,23)13-8-9-14-15(10-13)21-16(20-14)24-11-17(18,19)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,20,21)
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n/an/a 4.40n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50380914
PNG
(S-2367 | VELNEPERIT)
Show SMILES CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r,wU:8.7,wD:11.14,(16.68,6.49,;16.68,4.95,;15.35,4.18,;15.34,5.72,;18.02,4.19,;19.1,5.29,;19.5,3.8,;18.02,2.65,;19.36,1.88,;20.69,2.66,;22.02,1.88,;22.02,.34,;20.69,-.42,;19.36,.34,;23.35,-.43,;23.35,-1.97,;24.68,.34,;26.02,-.43,;26.01,-1.97,;27.34,-2.74,;28.68,-1.97,;28.67,-.43,;27.34,.34,;30.01,-2.74,;30.01,-4.28,;31.34,-1.97,;31.34,-3.51,)|
Show InChI InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)/t11-,13-
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n/an/a 4.60n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424179
PNG
(CHEMBL2312070)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3cccc(OC(F)(F)F)c3)[nH]c2c1
Show InChI InChI=1S/C16H13F3N2O4S/c1-2-26(22,23)12-6-7-13-14(9-12)21-15(20-13)24-10-4-3-5-11(8-10)25-16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
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n/an/a 7.10n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424181
PNG
(CHEMBL2312072)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3cccc(c3)-c3ccccc3)[nH]c2c1
Show InChI InChI=1S/C21H18N2O3S/c1-2-27(24,25)18-11-12-19-20(14-18)23-21(22-19)26-17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,22,23)
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n/an/a 9.60n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424191
PNG
(CHEMBL2312063)
Show SMILES CCS(=O)(=O)c1ccc2nc(SCc3cccc(Cl)c3)[nH]c2c1
Show InChI InChI=1S/C16H15ClN2O2S2/c1-2-23(20,21)13-6-7-14-15(9-13)19-16(18-14)22-10-11-4-3-5-12(17)8-11/h3-9H,2,10H2,1H3,(H,18,19)
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n/an/a 12n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50365416
PNG
(CHEMBL1585484)
Show SMILES Clc1cccc(CSc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)c1
Show InChI InChI=1S/C18H18ClN3O3S2/c19-14-3-1-2-13(10-14)12-26-18-20-16-5-4-15(11-17(16)21-18)27(23,24)22-6-8-25-9-7-22/h1-5,10-11H,6-9,12H2,(H,20,21)
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n/an/a 20n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424180
PNG
(CHEMBL2312071)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3ccc(OC(F)(F)F)cc3)[nH]c2c1
Show InChI InChI=1S/C16H13F3N2O4S/c1-2-26(22,23)12-7-8-13-14(9-12)21-15(20-13)24-10-3-5-11(6-4-10)25-16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
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n/an/a 22n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424174
PNG
(CHEMBL2312065)
Show SMILES CCS(=O)(=O)c1ccc2nc(OCCc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C17H18N2O3S/c1-2-23(20,21)14-8-9-15-16(12-14)19-17(18-15)22-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,18,19)
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n/an/a 25n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424177
PNG
(CHEMBL2312068)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3cccc(c3)C(F)(F)F)[nH]c2c1
Show InChI InChI=1S/C16H13F3N2O3S/c1-2-25(22,23)12-6-7-13-14(9-12)21-15(20-13)24-11-5-3-4-10(8-11)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
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n/an/a 41n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424189
PNG
(CHEMBL2312080)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)C(F)(F)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18F2N2O2S/c1-2-29(27,28)18-12-13-19-20(14-18)26-21(25-19)22(23,24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424173
PNG
(CHEMBL2312064)
Show SMILES CCS(=O)(=O)c1ccc2nc(OCc3cccc(Cl)c3)[nH]c2c1
Show InChI InChI=1S/C16H15ClN2O3S/c1-2-23(20,21)13-6-7-14-15(9-13)19-16(18-14)22-10-11-4-3-5-12(17)8-11/h3-9H,2,10H2,1H3,(H,18,19)
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n/an/a 80n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424185
PNG
(CHEMBL2312076)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3ccc(cn3)-c3ccccc3)[nH]c2c1
Show InChI InChI=1S/C20H17N3O3S/c1-2-27(24,25)16-9-10-17-18(12-16)23-20(22-17)26-19-11-8-15(13-21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
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n/an/a 96n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424178
PNG
(CHEMBL2312069)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3ccc(cc3)C(F)(F)F)[nH]c2c1
Show InChI InChI=1S/C16H13F3N2O3S/c1-2-25(22,23)12-7-8-13-14(9-12)21-15(20-13)24-11-5-3-10(4-6-11)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
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n/an/a 98n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424187
PNG
(CHEMBL2312078)
Show SMILES CCS(=O)(=O)c1ccc2nc(Cc3ccc(cc3)-c3ccccc3)[nH]c2c1
Show InChI InChI=1S/C22H20N2O2S/c1-2-27(25,26)19-12-13-20-21(15-19)24-22(23-20)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,23,24)
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n/an/a 112n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424190
PNG
(CHEMBL2312081)
Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)C1(CC1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N2O2S/c1-2-29(27,28)20-12-13-21-22(16-20)26-23(25-21)24(14-15-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13,16H,2,14-15H2,1H3,(H,25,26)
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n/an/a 608n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Mus musculus (Mouse))
BDBM50424176
PNG
(CHEMBL2312067)
Show SMILES CCS(=O)(=O)c1ccc2nc(Oc3ccccc3C(F)(F)F)[nH]c2c1
Show InChI InChI=1S/C16H13F3N2O3S/c1-2-25(22,23)10-7-8-12-13(9-10)21-15(20-12)24-14-6-4-3-5-11(14)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
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PubMed
n/an/a 3.19E+3n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from mouse NPY-Y5 receptor


Bioorg Med Chem Lett 23: 90-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.005
BindingDB Entry DOI: 10.7270/Q2FB547S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%