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PubMed code 31320147

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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50521948
PNG
(CHEMBL4454999)
Show SMILES CC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
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n/an/a 4.48E+3n/an/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Displacement of fluormone pan-PPAR green from GST-tagged human PPARgamma ligand binding domain after 3 hrs by TR-FRET assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521964
PNG
(CHEMBL4563335)
Show SMILES CCc1cc(C(O)=O)c2c(nn(-c3ccc(Cl)cc3)c2n1)C(C)C
Show InChI InChI=1S/C18H18ClN3O2/c1-4-12-9-14(18(23)24)15-16(10(2)3)21-22(17(15)20-12)13-7-5-11(19)6-8-13/h5-10H,4H2,1-3H3,(H,23,24)
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n/an/an/an/a 1.39E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521955
PNG
(CHEMBL4468865)
Show SMILES CC(C)c1nn(-c2ccc(F)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C17H16FN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
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n/an/an/an/a 2.06E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/an/a 5.00E+4n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Rattus norvegicus)		BDBM50521948
PNG
(CHEMBL4454999)
Show SMILES CC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
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n/an/an/an/a 1.59E+4n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of rat GAL4-fused PPARalpha expressed in human HepG2 cells after 24 hrs by dual renilla-luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521952
PNG
(CHEMBL4460143)
Show SMILES CC(C)c1nn(-c2cccc(Cl)c2)c2nc(cc(C(O)=O)c12)C1CC1
Show InChI InChI=1S/C19H18ClN3O2/c1-10(2)17-16-14(19(24)25)9-15(11-6-7-11)21-18(16)23(22-17)13-5-3-4-12(20)8-13/h3-5,8-11H,6-7H2,1-2H3,(H,24,25)
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n/an/an/an/a>1.34E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521963
PNG
(CHEMBL4522441)
Show SMILES CCC(CC)c1nn(-c2ccc(Cl)cc2)c2nc(CC)cc(C(O)=O)c12
Show InChI InChI=1S/C20H22ClN3O2/c1-4-12(5-2)18-17-16(20(25)26)11-14(6-3)22-19(17)24(23-18)15-9-7-13(21)8-10-15/h7-12H,4-6H2,1-3H3,(H,25,26)
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n/an/an/an/a 1.24E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521965
PNG
(CHEMBL4543257)
Show SMILES CCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(cc(C(O)=O)c12)C1CC1
Show InChI InChI=1S/C20H20ClN3O2/c1-3-11(2)18-17-15(20(25)26)10-16(12-4-5-12)22-19(17)24(23-18)14-8-6-13(21)7-9-14/h6-12H,3-5H2,1-2H3,(H,25,26)
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n/an/an/an/a 460n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521956
PNG
(CHEMBL4549332)
Show SMILES CC(C)c1nn(-c2ccc(Cl)cc2)c2nc(cc(C(O)=O)c12)-c1ccccc1
Show InChI InChI=1S/C22H18ClN3O2/c1-13(2)20-19-17(22(27)28)12-18(14-6-4-3-5-7-14)24-21(19)26(25-20)16-10-8-15(23)9-11-16/h3-13H,1-2H3,(H,27,28)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521959
PNG
(CHEMBL4534481)
Show SMILES CCC(CC)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C19H20ClN3O2/c1-4-12(5-2)17-16-15(19(24)25)10-11(3)21-18(16)23(22-17)14-8-6-13(20)7-9-14/h6-10,12H,4-5H2,1-3H3,(H,24,25)
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n/an/an/an/a>3.57E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)		BDBM50521948
PNG
(CHEMBL4454999)
Show SMILES CC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
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n/an/an/an/a 1.13E+4n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of mouse GAL4-fused PPARalpha expressed in human HepG2 cells after 24 hrs by dual renilla-luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521954
PNG
(CHEMBL4451764)
Show SMILES CC(C)c1nn(-c2ccc(Br)cc2)c2nc(cc(C(O)=O)c12)C1CC1
Show InChI InChI=1S/C19H18BrN3O2/c1-10(2)17-16-14(19(24)25)9-15(11-3-4-11)21-18(16)23(22-17)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,24,25)
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n/an/an/an/a 1.98E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521961
PNG
(CHEMBL4548269)
Show SMILES CC(C)c1nn(-c2ccc(I)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C17H16IN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
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n/an/an/an/a 2.41E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521950
PNG
(CHEMBL4456624)
Show SMILES CC(C)c1nn(-c2ccc(Cl)cc2)c2nc(cc(C(O)=O)c12)C1CC1
Show InChI InChI=1S/C19H18ClN3O2/c1-10(2)17-16-14(19(24)25)9-15(11-3-4-11)21-18(16)23(22-17)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,24,25)
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n/an/an/an/a>2.74E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521962
PNG
(CHEMBL4592654)
Show SMILES CCC(CC)c1nn(-c2ccc(F)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C19H20FN3O2/c1-4-12(5-2)17-16-15(19(24)25)10-11(3)21-18(16)23(22-17)14-8-6-13(20)7-9-14/h6-10,12H,4-5H2,1-3H3,(H,24,25)
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n/an/an/an/a 1.45E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521960
PNG
(CHEMBL4538761)
Show SMILES CC(C)c1nn(-c2ccc(Br)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C17H16BrN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
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n/an/an/an/a>4.01E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521951
PNG
(CHEMBL4476019)
Show SMILES CCc1cc(C(O)=O)c2c(nn(-c3cccc(Cl)c3)c2n1)C(C)C
Show InChI InChI=1S/C18H18ClN3O2/c1-4-12-9-14(18(23)24)15-16(10(2)3)21-22(17(15)20-12)13-7-5-6-11(19)8-13/h5-10H,4H2,1-3H3,(H,23,24)
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n/an/an/an/a>2.27E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521953
PNG
(CHEMBL4555785)
Show SMILES CCc1cc(C(O)=O)c2c(nn(-c3ccc(Br)cc3)c2n1)C(C)C
Show InChI InChI=1S/C18H18BrN3O2/c1-4-12-9-14(18(23)24)15-16(10(2)3)21-22(17(15)20-12)13-7-5-11(19)6-8-13/h5-10H,4H2,1-3H3,(H,23,24)
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n/an/an/an/a 1.23E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521957
PNG
(CHEMBL4457812)
Show SMILES CCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C18H18ClN3O2/c1-4-10(2)16-15-14(18(23)24)9-11(3)20-17(15)22(21-16)13-7-5-12(19)6-8-13/h5-10H,4H2,1-3H3,(H,23,24)
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n/an/an/an/a 680n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521958
PNG
(CHEMBL4440299)
Show SMILES CCC(CC)c1nn(-c2ccc(F)cc2)c2nc(CC)cc(C(O)=O)c12
Show InChI InChI=1S/C20H22FN3O2/c1-4-12(5-2)18-17-16(20(25)26)11-14(6-3)22-19(17)24(23-18)15-9-7-13(21)8-10-15/h7-12H,4-6H2,1-3H3,(H,25,26)
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n/an/an/an/a 1.53E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521948
PNG
(CHEMBL4454999)
Show SMILES CC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(O)=O)c12
Show InChI InChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
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Article
PubMed
n/an/an/an/a 660n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50521949
PNG
(CHEMBL4579518)
Show SMILES CCc1cc(C(O)=O)c2c(nn(-c3ccc(I)cc3)c2n1)C(C)C
Show InChI InChI=1S/C18H18IN3O2/c1-4-12-9-14(18(23)24)15-16(10(2)3)21-22(17(15)20-12)13-7-5-11(19)6-8-13/h5-10H,4H2,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.76E+3n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay

Bioorg Med Chem Lett 29: 2124-2128 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.062
BindingDB Entry DOI: 10.7270/Q23N26T3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%