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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'donaldson' and Initial = 'hn'   
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
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505366
PNG
(CHEMBL4452061)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@H]2O)C(=C)c1ccccc1C |r,t:9|
Show InChI InChI=1S/C29H36O/c1-4-5-6-8-16-24-20-26-27(30)18-19-29(26,28(24)23-14-9-7-10-15-23)22(3)25-17-12-11-13-21(25)2/h7,9-15,17,26-27,30H,3-6,8,16,18-20H2,1-2H3/t26-,27+,29-/m0/s1
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n/an/an/an/a 900n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50418303
PNG
(CHEMBL1765959)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505368
PNG
(CHEMBL4559668)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2NC(C)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C30H37NO/c1-4-5-6-9-18-26-21-27-28(31-23(3)32)19-20-30(27,22(2)24-14-10-7-11-15-24)29(26)25-16-12-8-13-17-25/h7-8,10-17,27-28H,2,4-6,9,18-21H2,1,3H3,(H,31,32)/t27-,28-,30-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505369
PNG
(CHEMBL4440757)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2NS(N)(=O)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25-,26-,28-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505370
PNG
(CHEMBL4460749)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2n1ccnn1)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C30H35N3/c1-3-4-5-8-17-26-22-27-28(33-21-20-31-32-33)18-19-30(27,23(2)24-13-9-6-10-14-24)29(26)25-15-11-7-12-16-25/h6-7,9-16,20-21,27-28H,2-5,8,17-19,22H2,1H3/t27-,28-,30-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505371
PNG
(CHEMBL4455426)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@H]2OS(N)(=O)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C28H35NO3S/c1-3-4-5-8-17-24-20-25-26(32-33(29,30)31)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H2,29,30,31)/t25-,26+,28-/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505372
PNG
(CHEMBL4447391)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@H]2NS(N)(=O)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25-,26+,28-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505373
PNG
(CHEMBL4527695)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@H]2O)C(=O)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C27H32O2/c1-2-3-4-7-16-22-19-23-24(28)17-18-27(23,25(22)20-12-8-5-9-13-20)26(29)21-14-10-6-11-15-21/h5-6,8-15,23-24,28H,2-4,7,16-19H2,1H3/t23-,24+,27-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505374
PNG
(CHEMBL4514240)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@]1(Cc1ccccc1)CC[C@H]2O |r,t:9|
Show InChI InChI=1S/C27H34O/c1-2-3-4-9-16-23-19-24-25(28)17-18-27(24,20-21-12-7-5-8-13-21)26(23)22-14-10-6-11-15-22/h5-8,10-15,24-25,28H,2-4,9,16-20H2,1H3/t24-,25+,27-/m0/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505375
PNG
(CHEMBL4562317)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3cc(O)ccc3C)[C@@]1(CC[C@H]2O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C29H36O2/c1-4-5-6-8-13-23-18-26-27(31)16-17-29(26,21(3)22-11-9-7-10-12-22)28(23)25-19-24(30)15-14-20(25)2/h7,9-12,14-15,19,26-27,30-31H,3-6,8,13,16-18H2,1-2H3/t26-,27+,29-/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505369
PNG
(CHEMBL4440757)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2NS(N)(=O)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25-,26-,28-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human LRH1 ligand binding domain (300 to 537 residues) expressed in Escherichia coli BL21 cells assessed as increase ...


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50418303
PNG
(CHEMBL1765959)
Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6|
Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human LRH1 ligand binding domain (300 to 537 residues) expressed in Escherichia coli BL21 cells assessed as increase ...


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505376
PNG
(CHEMBL4461328)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2OS(N)(=O)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C28H35NO3S/c1-3-4-5-8-17-24-20-25-26(32-33(29,30)31)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H2,29,30,31)/t25-,26-,28-/m0/s1
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n/an/an/an/a 900n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505377
PNG
(CHEMBL4471992)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@H]2NC(N)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C29H36N2O/c1-3-4-5-8-17-24-20-25-26(31-28(30)32)18-19-29(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H3,30,31,32)/t25-,26+,29-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505378
PNG
(CHEMBL4558553)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@H]2O)C(=C)Cc1ccccc1 |r,t:9|
Show InChI InChI=1S/C29H36O/c1-3-4-5-10-17-25-21-26-27(30)18-19-29(26,28(25)24-15-11-7-12-16-24)22(2)20-23-13-8-6-9-14-23/h6-9,11-16,26-27,30H,2-5,10,17-21H2,1H3/t26-,27+,29-/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505376
PNG
(CHEMBL4461328)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2OS(N)(=O)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C28H35NO3S/c1-3-4-5-8-17-24-20-25-26(32-33(29,30)31)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H2,29,30,31)/t25-,26-,28-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human LRH1 ligand binding domain (300 to 537 residues) expressed in Escherichia coli BL21 cells assessed as increase ...


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505379
PNG
(CHEMBL4574667)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@H]2O)C(=C)c1ccccc1F |r,t:9|
Show InChI InChI=1S/C28H33FO/c1-3-4-5-7-14-22-19-24-26(30)17-18-28(24,27(22)21-12-8-6-9-13-21)20(2)23-15-10-11-16-25(23)29/h6,8-13,15-16,24,26,30H,2-5,7,14,17-19H2,1H3/t24-,26+,28-/m0/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505380
PNG
(CHEMBL4541939)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2NC(N)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C29H36N2O/c1-3-4-5-8-17-24-20-25-26(31-28(30)32)18-19-29(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H3,30,31,32)/t25-,26-,29-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 500n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50505367
PNG
(CHEMBL4565513)
Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2OS(=O)(=O)NC(N)=O)C(=C)c1ccccc1 |r,t:9|
Show InChI InChI=1S/C29H36N2O4S/c1-3-4-5-8-17-24-20-25-26(35-36(33,34)31-28(30)32)18-19-29(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H3,30,31,32)/t25-,26-,29-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Emory University School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay


J Med Chem 62: 11022-11034 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00753
BindingDB Entry DOI: 10.7270/Q2XK8JT8
More data for this
Ligand-Target Pair