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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'wang' and Initial = 'tq'   
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
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50242878
PNG
(CHEMBL4090908)
Show SMILES Cc1nn2c(nc(O)c3cccnc23)c1C#N
Show InChI InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
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n/an/a 410n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
BindingDB Entry DOI: 10.7270/Q2VH5R84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223126
PNG
(P5i-7)
Show SMILES NC(=S)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN3OS/c13-9-3-1-8(2-4-9)11-6-5-10(17-11)7-15-16-12(14)18/h1-7H,(H3,14,16,18)/b15-7+
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n/an/a 720n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50242881
PNG
(CHEMBL4086607)
Show SMILES CCc1nn2c(nc(O)c3cccnc23)c1C#N
Show InChI InChI=1S/C12H9N5O/c1-2-9-8(6-13)11-15-12(18)7-4-3-5-14-10(7)17(11)16-9/h3-5H,2H2,1H3,(H,15,18)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
BindingDB Entry DOI: 10.7270/Q2VH5R84
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223131
PNG
(2-((5-(4-methoxyphenyl)furan-2-yl)methylene)hydraz...)
Show SMILES COc1ccc(cc1)-c1ccc(\C=N\NC(N)=O)o1
Show InChI InChI=1S/C13H13N3O3/c1-18-10-4-2-9(3-5-10)12-7-6-11(19-12)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17)/b15-8+
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n/an/a 2.10E+3n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50242880
PNG
(CHEMBL4102450)
Show SMILES Oc1nc2c(cnn2c2c(cccc12)[N+]([O-])=O)C#N
Show InChI InChI=1S/C11H5N5O3/c12-4-6-5-13-15-9-7(11(17)14-10(6)15)2-1-3-8(9)16(18)19/h1-3,5H,(H,14,17)
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n/an/a 3.14E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
BindingDB Entry DOI: 10.7270/Q2VH5R84
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223136
PNG
(2-((6-(4-chlorophenyl)pyridin-2-yl)methylene)hydra...)
Show SMILES NC(=O)N\N=C\c1cccc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O/c14-10-6-4-9(5-7-10)12-3-1-2-11(17-12)8-16-18-13(15)19/h1-8H,(H3,15,18,19)/b16-8+
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n/an/a 3.50E+3n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223134
PNG
(2-((4′-chloro-[1,1′-biphenyl]-3-yl)met...)
Show SMILES NC(=O)N\N=C\c1cccc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3O/c15-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4D


(Homo sapiens (Human))
BDBM50242879
PNG
(CHEMBL4068909)
Show SMILES N#Cc1cnn2c1ncc1cccnc21
Show InChI InChI=1S/C10H5N5/c11-4-8-6-14-15-9-7(2-1-3-12-9)5-13-10(8)15/h1-3,5-6H
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n/an/a 4.03E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
BindingDB Entry DOI: 10.7270/Q2VH5R84
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223135
PNG
(2-((5-(4-chlorophenyl)pyridin-3-yl)methylene)hydra...)
Show SMILES NC(=O)N\N=C\c1cncc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O/c14-12-3-1-10(2-4-12)11-5-9(6-16-8-11)7-17-18-13(15)19/h1-8H,(H3,15,18,19)/b17-7+
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n/an/a 6.90E+3n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50242878
PNG
(CHEMBL4090908)
Show SMILES Cc1nn2c(nc(O)c3cccnc23)c1C#N
Show InChI InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
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Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
BindingDB Entry DOI: 10.7270/Q2VH5R84
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50242878
PNG
(CHEMBL4090908)
Show SMILES Cc1nn2c(nc(O)c3cccnc23)c1C#N
Show InChI InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
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Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
BindingDB Entry DOI: 10.7270/Q2VH5R84
More data for this
Ligand-Target Pair
Lysine-specific demethylase 2B


(Homo sapiens (Human))
BDBM50242878
PNG
(CHEMBL4090908)
Show SMILES Cc1nn2c(nc(O)c3cccnc23)c1C#N
Show InChI InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
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Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
BindingDB Entry DOI: 10.7270/Q2VH5R84
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223129
PNG
(2-((5-(4-fluorophenyl)furan-2-yl)methylene)hydrazi...)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223127
PNG
(2-((5-phenylfuran-2-yl)methylene)hydrazinecarboxam...)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C12H11N3O2/c13-12(16)15-14-8-10-6-7-11(17-10)9-4-2-1-3-5-9/h1-8H,(H3,13,15,16)/b14-8+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223133
PNG
(2-((5-(2-amino-4-chlorophenyl)furan-2-yl)methylene...)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C12H11ClN4O2/c13-7-1-3-9(10(14)5-7)11-4-2-8(19-11)6-16-17-12(15)18/h1-6H,14H2,(H3,15,17,18)/b16-6+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223128
PNG
(2-((5-(3-fluorophenyl)furan-2-yl)methylene)hydrazi...)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C12H10FN3O2/c13-9-3-1-2-8(6-9)11-5-4-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223130
PNG
(2-((5-(4-nitrophenyl)furan-2-yl)methylene)hydrazin...)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H10N4O4/c13-12(17)15-14-7-10-5-6-11(20-10)8-1-3-9(4-2-8)16(18)19/h1-7H,(H3,13,15,17)/b14-7+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM223132
PNG
(2-((5-(4-aminophenyl)furan-2-yl)methylene)hydrazin...)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(N)cc1
Show InChI InChI=1S/C12H12N4O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,13H2,(H3,14,16,17)/b15-7+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM8460
PNG
(5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-su...)
Show SMILES Clc1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
Show InChI InChI=1S/C15H9ClN2O3S/c16-9-3-1-8(2-4-9)12-6-5-10(21-12)7-11-13(19)17-15(22)18-14(11)20/h1-7H,(H2,17,18,19,20,22)
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n/an/a 6.70E+4n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 7


(Homo sapiens (Human))
BDBM223137
PNG
(P5i-6)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM223137
PNG
(P5i-6)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM223137
PNG
(P5i-6)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+
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Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S]


(Homo sapiens (Human))
BDBM223137
PNG
(P5i-6)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM223137
PNG
(P5i-6)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM223137
PNG
(P5i-6)
Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/a25



Sichuan University



Assay Description
All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...


Chem Biol Drug Des 89: 585-598 (2017)


Article DOI: 10.1111/cbdd.12881
BindingDB Entry DOI: 10.7270/Q21V5CTR
More data for this
Ligand-Target Pair