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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'satheeshkumar' and Initial = 'r'   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM124241
PNG
(N,N'-([1,1'-biphenyl]-4,4'-diyl)bis(1-...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccco2)cc1)C1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C34H34N4O6/c39-31(25-13-17-37(18-14-25)33(41)29-3-1-21-43-29)35-27-9-5-23(6-10-27)24-7-11-28(12-8-24)36-32(40)26-15-19-38(20-16-26)34(42)30-4-2-22-44-30/h1-12,21-22,25-26H,13-20H2,(H,35,39)(H,36,40)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50542424
PNG
(CHEMBL4646790)
Show SMILES Fc1ccc(NC(=O)c2ccc(s2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H16F2N2O2S/c25-17-5-9-19(10-6-17)27-23(29)16-3-1-15(2-4-16)21-13-14-22(31-21)24(30)28-20-11-7-18(26)8-12-20/h1-14H,(H,27,29)(H,28,30)
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n/an/a 2.63E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50542416
PNG
(CHEMBL4635749)
Show SMILES O=C(Nc1ccccc1)c1ccc(o1)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H18N2O3/c27-23(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-22(29-21)24(28)26-20-9-5-2-6-10-20/h1-16H,(H,25,27)(H,26,28)
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n/an/a 3.48E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50542419
PNG
(CHEMBL4646731)
Show SMILES O=C(Nc1ccccc1)c1ccc(s1)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c27-23(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-22(29-21)24(28)26-20-9-5-2-6-10-20/h1-16H,(H,25,27)(H,26,28)
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n/an/a 3.52E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50542425
PNG
(CHEMBL4639729)
Show SMILES Fc1ccc(NC(=O)c2cnc(s2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H15F2N3O2S/c24-16-5-9-18(10-6-16)27-21(29)14-1-3-15(4-2-14)23-26-13-20(31-23)22(30)28-19-11-7-17(25)8-12-19/h1-13H,(H,27,29)(H,28,30)
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n/an/a 4.63E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50542416
PNG
(CHEMBL4635749)
Show SMILES O=C(Nc1ccccc1)c1ccc(o1)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H18N2O3/c27-23(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-22(29-21)24(28)26-20-9-5-2-6-10-20/h1-16H,(H,25,27)(H,26,28)
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n/an/a 4.63E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50542420
PNG
(CHEMBL4648494)
Show SMILES O=C(NC1CCCCC1)c1ccc(s1)-c1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H30N2O2S/c27-23(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-22(29-21)24(28)26-20-9-5-2-6-10-20/h11-16,19-20H,1-10H2,(H,25,27)(H,26,28)
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n/an/a 4.88E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TCPTP (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50542419
PNG
(CHEMBL4646731)
Show SMILES O=C(Nc1ccccc1)c1ccc(s1)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c27-23(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-22(29-21)24(28)26-20-9-5-2-6-10-20/h1-16H,(H,25,27)(H,26,28)
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n/an/a 5.75E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 7.43E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50542423
PNG
(CHEMBL4635833)
Show SMILES O=C(Nc1ccccc1)c1cnc(s1)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H17N3O2S/c27-21(25-18-7-3-1-4-8-18)16-11-13-17(14-12-16)23-24-15-20(29-23)22(28)26-19-9-5-2-6-10-19/h1-15H,(H,25,27)(H,26,28)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50542424
PNG
(CHEMBL4646790)
Show SMILES Fc1ccc(NC(=O)c2ccc(s2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H16F2N2O2S/c25-17-5-9-19(10-6-17)27-23(29)16-3-1-15(2-4-16)21-13-14-22(31-21)24(30)28-20-11-7-18(26)8-12-20/h1-14H,(H,27,29)(H,28,30)
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n/an/a 9.16E+3n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TCPTP (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50542417
PNG
(CHEMBL4638626)
Show SMILES Fc1ccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H16F2N2O3/c25-17-5-9-19(10-6-17)27-23(29)16-3-1-15(2-4-16)21-13-14-22(31-21)24(30)28-20-11-7-18(26)8-12-20/h1-14H,(H,27,29)(H,28,30)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50542420
PNG
(CHEMBL4648494)
Show SMILES O=C(NC1CCCCC1)c1ccc(s1)-c1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H30N2O2S/c27-23(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-22(29-21)24(28)26-20-9-5-2-6-10-20/h11-16,19-20H,1-10H2,(H,25,27)(H,26,28)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124241
PNG
(N,N'-([1,1'-biphenyl]-4,4'-diyl)bis(1-...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccco2)cc1)C1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C34H34N4O6/c39-31(25-13-17-37(18-14-25)33(41)29-3-1-21-43-29)35-27-9-5-23(6-10-27)24-7-11-28(12-8-24)36-32(40)26-15-19-38(20-16-26)34(42)30-4-2-22-44-30/h1-12,21-22,25-26H,13-20H2,(H,35,39)(H,36,40)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TCPTP (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 1.42E+4n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50542418
PNG
(CHEMBL4646926)
Show SMILES Clc1ccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H16Cl2N2O3/c25-17-5-9-19(10-6-17)27-23(29)16-3-1-15(2-4-16)21-13-14-22(31-21)24(30)28-20-11-7-18(26)8-12-20/h1-14H,(H,27,29)(H,28,30)
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n/an/a 1.57E+4n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50542422
PNG
(CHEMBL4641929)
Show SMILES Fc1ccc(NC(=O)c2ccc([nH]2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H17F2N3O2/c25-17-5-9-19(10-6-17)27-23(30)16-3-1-15(2-4-16)21-13-14-22(29-21)24(31)28-20-11-7-18(26)8-12-20/h1-14,29H,(H,27,30)(H,28,31)
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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.03E+4n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50542421
PNG
(CHEMBL4634606)
Show SMILES O=C(Nc1ccccc1)c1ccc([nH]1)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H19N3O2/c28-23(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-22(27-21)24(29)26-20-9-5-2-6-10-20/h1-16,27H,(H,25,28)(H,26,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.34E+4n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50542422
PNG
(CHEMBL4641929)
Show SMILES Fc1ccc(NC(=O)c2ccc([nH]2)-c2ccc(cc2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H17F2N3O2/c25-17-5-9-19(10-6-17)27-23(30)16-3-1-15(2-4-16)21-13-14-22(29-21)24(31)28-20-11-7-18(26)8-12-20/h1-14,29H,(H,27,30)(H,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.83E+4n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127170
BindingDB Entry DOI: 10.7270/Q2NP27ZM
More data for this
Ligand-Target Pair