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Compile Data Set for Download or QSAR

Found 307 hits with Last Name = 'tautz' and Initial = 'l'   
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))
BDBM50087883
PNG
(CHEMBL3426930)
Show SMILES CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(N)=O |r|
Show InChI InChI=1S/C39H56F4N4O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-33(48)45-31(24-27-17-21-29(22-18-27)39(42,43)61(57,58)59)36(52)47-32(25-34(49)50)37(53)46-30(35(44)51)23-26-15-19-28(20-16-26)38(40,41)60(54,55)56/h15-22,30-32H,2-14,23-25H2,1H3,(H2,44,51)(H,45,48)(H,46,53)(H,47,52)(H,49,50)(H2,54,55,56)(H2,57,58,59)/t30-,31-,32-/m0/s1
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26n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of PTP1B (unknown origin)


Bioorg Med Chem 23: 2786-97 (2015)


Article DOI: 10.1016/j.bmc.2015.03.075
BindingDB Entry DOI: 10.7270/Q2BG2QQD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50341994
PNG
(2-(((5-tert-butylthiazol-2-yl)methyl)((4-(4-((4-(h...)
Show SMILES CCCC(CCC)c1ccc(OCc2ccc(cc2)-c2csc(CN(CC(O)=O)Cc3ncc(s3)C(C)(C)C)n2)cc1
Show InChI InChI=1S/C34H43N3O3S2/c1-6-8-25(9-7-2)26-14-16-28(17-15-26)40-22-24-10-12-27(13-11-24)29-23-41-32(36-29)20-37(21-33(38)39)19-31-35-18-30(42-31)34(3,4)5/h10-18,23,25H,6-9,19-22H2,1-5H3,(H,38,39)
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220n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate after 40 mins


Bioorg Med Chem 23: 2786-97 (2015)


Article DOI: 10.1016/j.bmc.2015.03.075
BindingDB Entry DOI: 10.7270/Q2BG2QQD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM88776
PNG
(2-[4-[(Z)-[5-(4-chlorophenyl)-6-isopropoxycarbonyl...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)/b20-12-
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690n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant HePTP expressed in Escherichia coli by Michaelis-Menten kinetic analysis


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303176
PNG
(2-((Z)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxoth...)
Show SMILES OS(=O)(=O)CCn1nc(C=CCc2ccccc2)sc1=S |w:10.10|
Show InChI InChI=1S/C13H14N2O3S3/c16-21(17,18)10-9-15-13(19)20-12(14-15)8-4-7-11-5-2-1-3-6-11/h1-6,8H,7,9-10H2,(H,16,17,18)
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809n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303177
PNG
(CHEMBL565369 | N-(4-(benzo[d]oxazol-2-yl)phenyl)-3...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=C\C(=O)Nc2ccc(cc2)-c2nc3ccccc3o2)o1
Show InChI InChI=1S/C26H17N3O5/c30-25(16-14-19-13-15-23(33-19)20-5-1-3-7-22(20)29(31)32)27-18-11-9-17(10-12-18)26-28-21-6-2-4-8-24(21)34-26/h1-16H,(H,27,30)/b16-14+
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1.76E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303178
PNG
(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-thiox...)
Show SMILES OC1=NC(=S)C(S1)=Cc1ccc(o1)-c1ccc(cc1)[N+]([O-])=O |w:7.8,t:1|
Show InChI InChI=1S/C14H8N2O4S2/c17-14-15-13(21)12(22-14)7-10-5-6-11(20-10)8-1-3-9(4-2-8)16(18)19/h1-7H,(H,15,17,21)
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1.86E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303179
PNG
(2-(4-oxo-5-(3-phenylallylidene)-2-thioxothiazolidi...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccccc2)C1=O
Show InChI InChI=1S/C21H17NO3S2/c23-19-18(13-7-12-15-8-3-1-4-9-15)27-21(26)22(19)17(20(24)25)14-16-10-5-2-6-11-16/h1-13,17H,14H2,(H,24,25)/b12-7+,18-13-
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2.01E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM11994
PNG
(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1
Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
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2.09E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303180
PNG
(CHEMBL577311 | ethyl 5-(4-bromophenyl)-4,6-dioxo-2...)
Show SMILES CCOC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(Br)cc1
Show InChI InChI=1S/C14H10BrN3O4/c1-2-22-14(21)11-9-10(16-17-11)13(20)18(12(9)19)8-5-3-7(15)4-6-8/h3-6H,2H2,1H3,(H,16,17)
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2.64E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303181
PNG
(1-(dibenzo[b,d]furan-3-yl)-3-(naphthalen-1-yl)thio...)
Show SMILES S=C(Nc1ccc2c(c1)oc1ccccc21)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H16N2OS/c27-23(25-20-10-5-7-15-6-1-2-8-17(15)20)24-16-12-13-19-18-9-3-4-11-21(18)26-22(19)14-16/h1-14H,(H2,24,25,27)
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2.94E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303182
PNG
(1,4-dimethoxyanthracene-9,10-dione | CHEMBL570408 ...)
Show SMILES COc1ccc(OC)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C16H12O4/c1-19-11-7-8-12(20-2)14-13(11)15(17)9-5-3-4-6-10(9)16(14)18/h3-8H,1-2H3
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3.07E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM28851
PNG
(2-[(5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylide...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C16H12ClNO5S3/c17-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-15(19)18(16(24)25-14)6-7-26(20,21)22/h1-5,8-9H,6-7H2,(H,20,21,22)/b14-9-
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3.13E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303184
PNG
(5-((5-(2-bromo-4,5-dimethylphenyl)furan-2-yl)methy...)
Show SMILES Cc1cc(Br)c(cc1C)-c1ccc(\C=C2/NC(=S)NC2=O)o1
Show InChI InChI=1S/C16H13BrN2O2S/c1-8-5-11(12(17)6-9(8)2)14-4-3-10(21-14)7-13-15(20)19-16(22)18-13/h3-7H,1-2H3,(H2,18,19,20,22)/b13-7-
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3.19E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303185
PNG
((E/Z)-5-((1H-pyrrol-2-yl)methylene)-1-(3-chlorophe...)
Show SMILES Clc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc[nH]2)C1=O |w:14.15|
Show InChI InChI=1S/C15H10ClN3O2S/c16-9-3-1-5-11(7-9)19-14(21)12(13(20)18-15(19)22)8-10-4-2-6-17-10/h1-8,17H,(H,18,20,22)
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3.49E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM15186
PNG
(4-(5-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cy...)
Show SMILES Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(C(O)=O)c(Cl)c3)c12 |w:15.15|
Show InChI InChI=1S/C24H15ClN4O3/c1-11-16(21-12(2)18(10-27)23(28)29-22(21)17(11)9-26)8-14-4-6-20(32-14)13-3-5-15(24(30)31)19(25)7-13/h3-8,29H,1,28H2,2H3,(H,30,31)
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3.87E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303186
PNG
((E/Z)-5-((5-iodofuran-2-yl)methylene)-1-(4-methoxy...)
Show SMILES COc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccc(I)o2)C1=O
Show InChI InChI=1S/C16H11IN2O4S/c1-22-10-4-2-9(3-5-10)19-15(21)12(14(20)18-16(19)24)8-11-6-7-13(17)23-11/h2-8H,1H3,(H,18,20,24)/b12-8+
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4.44E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303187
PNG
(5-((5-bromofuran-2-yl)methylene)-1-(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)N1C(=S)NC(=O)\C(=C/c2ccc(Br)o2)C1=O
Show InChI InChI=1S/C15H8BrFN2O3S/c16-12-6-5-10(22-12)7-11-13(20)18-15(23)19(14(11)21)9-3-1-8(17)2-4-9/h1-7H,(H,18,20,23)/b11-7+
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1.21E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM11985
PNG
(4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic a...)
Show SMILES Cc1ccc(C)n1-c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-11(13(16)17)12(15)7-10/h3-7,15H,1-2H3,(H,16,17)
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1.28E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303188
PNG
(4-chloro-N-(2,3,5-trichloro-4-oxocyclohexa-2,5-die...)
Show SMILES ClC1=C\C(=N/S(=O)(=O)c2ccc(Cl)cc2)C(Cl)=C(Cl)C1=O |t:1,17|
Show InChI InChI=1S/C12H5Cl4NO3S/c13-6-1-3-7(4-2-6)21(19,20)17-9-5-8(14)12(18)11(16)10(9)15/h1-5H/b17-9+
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1.34E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303190
PNG
(3-(5-((2-(5-nitropyridin-2-yl)hydrazono)methyl)fur...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)o1 |w:15.16|
Show InChI InChI=1S/C17H12N4O5/c22-17(23)12-3-1-2-11(8-12)15-6-5-14(26-15)10-19-20-16-7-4-13(9-18-16)21(24)25/h1-9H,10H2,(H,22,23)
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1.38E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303189
PNG
(5,5-dihydroxy-4H-pyrido[3,2,1-jk]carbazole-4,6(5H)...)
Show SMILES OC1(O)C(=O)c2cccc3c4ccccc4n(C1=O)c23
Show InChI InChI=1S/C15H9NO4/c17-13-10-6-3-5-9-8-4-1-2-7-11(8)16(12(9)10)14(18)15(13,19)20/h1-7,19-20H
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1.38E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303191
PNG
((E/Z)-1-allyl-5-(3-(furan-2-yl)allylidene)-2-thiox...)
Show SMILES C=CCN1C(=S)NC(=O)\C(=C\C=C\c2ccco2)C1=O
Show InChI InChI=1S/C14H12N2O3S/c1-2-8-16-13(18)11(12(17)15-14(16)20)7-3-5-10-6-4-9-19-10/h2-7,9H,1,8H2,(H,15,17,20)/b5-3+,11-7-
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1.58E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303192
PNG
(1-(5-(3,4-dichlorophenyl)furan-2-yl)-5-(furan-2-yl...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C\C(=O)\C=C\c2ccco2)o1
Show InChI InChI=1S/C19H12Cl2O3/c20-17-9-3-13(12-18(17)21)19-10-8-16(24-19)7-5-14(22)4-6-15-2-1-11-23-15/h1-12H/b6-4+,7-5+
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1.59E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303193
PNG
((E/Z)-4-(5-((1-(3-bromophenyl)-2,4,6-trioxotetrahy...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)o1 |w:13.13|
Show InChI InChI=1S/C22H13BrN2O6/c23-14-2-1-3-15(10-14)25-20(27)17(19(26)24-22(25)30)11-16-8-9-18(31-16)12-4-6-13(7-5-12)21(28)29/h1-11H,(H,28,29)(H,24,26,30)
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1.62E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379404
PNG
(6-((4-(cyclopropylamino)-5-(trifluoromethyl)pyrimi...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3C(=O)CCCc3c2)nc1NC1CC1
Show InChI InChI=1S/C18H17F3N4O/c19-18(20,21)14-9-22-17(25-16(14)23-11-4-5-11)24-12-6-7-13-10(8-12)2-1-3-15(13)26/h6-9,11H,1-5H2,(H2,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379381
PNG
(N4-cyclopropyl-N2-(quinolin-6-yl)-5-(trifluorometh...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1
Show InChI InChI=1S/C17H14F3N5/c18-17(19,20)13-9-22-16(25-15(13)23-11-3-4-11)24-12-5-6-14-10(8-12)2-1-7-21-14/h1-2,5-9,11H,3-4H2,(H2,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379329
PNG
(N2-(1H-benzo[d]imidazol-6-yl)-N4-cyclopropyl-5-(tr...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CC1
Show InChI InChI=1S/C15H13F3N6/c16-15(17,18)10-6-19-14(24-13(10)22-8-1-2-8)23-9-3-4-11-12(5-9)21-7-20-11/h3-8H,1-2H2,(H,20,21)(H2,19,22,23,24)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379305
PNG
(N2-(1H-benzo[d][1,2,3]triazol-6-yl)-N4-cyclopropyl...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3nn[nH]c3c2)nc1NC1CC1
Show InChI InChI=1S/C14H12F3N7/c15-14(16,17)9-6-18-13(21-12(9)19-7-1-2-7)20-8-3-4-10-11(5-8)23-24-22-10/h3-7H,1-2H2,(H,22,23,24)(H2,18,19,20,21)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379307
PNG
(N4-cyclopropyl-N2-(3,4-dihydro-2H-benzo[b][1,4]dio...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3OCCCOc3c2)nc1NC1CC1
Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)12-9-21-16(24-15(12)22-10-2-3-10)23-11-4-5-13-14(8-11)26-7-1-6-25-13/h4-5,8-10H,1-3,6-7H2,(H2,21,22,23,24)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379414
PNG
(N-(4-((4-(cyclopropylamino)-5-(trifluoromethyl)pyr...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(NC(=O)C3CC3)cc2)nc1NC1CC1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)14-9-22-17(26-15(14)23-11-3-4-11)25-13-7-5-12(6-8-13)24-16(27)10-1-2-10/h5-11H,1-4H2,(H,24,27)(H2,22,23,25,26)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379450
PNG
(US10266549, Example 349 | US10774092, Example 349)
Show SMILES COc1ccc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23)
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379408
PNG
(N4-cyclopropyl-N2-(quinoxalin-6-yl)-5-(trifluorome...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1
Show InChI InChI=1S/C16H13F3N6/c17-16(18,19)11-8-22-15(25-14(11)23-9-1-2-9)24-10-3-4-12-13(7-10)21-6-5-20-12/h3-9H,1-2H2,(H2,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379311
PNG
(N4-cyclopropyl-N2-(1H-indazol-5-yl)-5-(trifluorome...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H13F3N6/c16-15(17,18)11-7-19-14(23-13(11)21-9-1-2-9)22-10-3-4-12-8(5-10)6-20-24-12/h3-7,9H,1-2H2,(H,20,24)(H2,19,21,22,23)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379259
PNG
(US10266549, Example 158a | US10774092, Example 158...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3OCCOc3c2)nc1NC1CC1
Show InChI InChI=1S/C16H15F3N4O2/c17-16(18,19)11-8-20-15(23-14(11)21-9-1-2-9)22-10-3-4-12-13(7-10)25-6-5-24-12/h3-4,7-9H,1-2,5-6H2,(H2,20,21,22,23)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379352
PNG
(N4-cyclopropyl-N2-(5-methoxypyridin-3-yl)-5-(trifl...)
Show SMILES COc1cncc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)c1
Show InChI InChI=1S/C14H14F3N5O/c1-23-10-4-9(5-18-6-10)21-13-19-7-11(14(15,16)17)12(22-13)20-8-2-3-8/h4-8H,2-3H2,1H3,(H2,19,20,21,22)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379387
PNG
(N4-cyclopropyl-N2-(quinolin-3-yl)-5-(trifluorometh...)
Show SMILES FC(F)(F)c1cnc(Nc2cnc3ccccc3c2)nc1NC1CC1
Show InChI InChI=1S/C17H14F3N5/c18-17(19,20)13-9-22-16(25-15(13)23-11-5-6-11)24-12-7-10-3-1-2-4-14(10)21-8-12/h1-4,7-9,11H,5-6H2,(H2,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379264
PNG
(US10266549, Example 161a | US10774092, Example 161...)
Show SMILES FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CCC1
Show InChI InChI=1S/C16H15F3N6/c17-16(18,19)12-8-22-15(25-14(12)23-10-2-1-3-10)24-11-6-9-4-5-20-13(9)21-7-11/h4-8,10H,1-3H2,(H,20,21)(H2,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM28879
PNG
(2-[(5Z)-5-[(3-{4-[(4-chlorophenyl)methoxy]phenyl}-...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-22-10-6-19(7-11-22)18-37-24-12-8-20(9-13-24)26-21(17-32(30-26)23-4-2-1-3-5-23)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379325
PNG
(US10266549, Example 208a | US10774092, Example 208...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3ncoc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H12F3N5O/c16-15(17,18)10-6-19-14(23-13(10)21-8-1-2-8)22-9-3-4-11-12(5-9)24-7-20-11/h3-8H,1-2H2,(H2,19,21,22,23)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379406
PNG
(US10266549, Example 304a | US10774092, Example 304...)
Show SMILES Nc1ccc(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C14H14F3N5/c15-14(16,17)11-7-19-13(22-12(11)20-9-5-6-9)21-10-3-1-8(18)2-4-10/h1-4,7,9H,5-6,18H2,(H2,19,20,21,22)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379332
PNG
(N2-(benzo[d][1,3]dioxol-5-yl)-N4-cyclopropyl-5-(tr...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3OCOc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H13F3N4O2/c16-15(17,18)10-6-19-14(22-13(10)20-8-1-2-8)21-9-3-4-11-12(5-9)24-7-23-11/h3-6,8H,1-2,7H2,(H2,19,20,21,22)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379323
PNG
(N4-cyclopropyl-N2-(1H-indol-5-yl)-5-(trifluorometh...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1
Show InChI InChI=1S/C16H14F3N5/c17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13/h3-8,10,20H,1-2H2,(H2,21,22,23,24)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379252
PNG
(US10266549, Example 152a | US10774092, Example 152...)
Show SMILES FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H13F3N6/c16-15(17,18)11-7-21-14(24-13(11)22-9-1-2-9)23-10-5-8-3-4-19-12(8)20-6-10/h3-7,9H,1-2H2,(H,19,20)(H2,21,22,23,24)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379413
PNG
(N-(cyclopropanecarbonyl)-N-(4-((4-(cyclopropylamin...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(cc2)N(C(=O)C2CC2)C(=O)C2CC2)nc1NC1CC1
Show InChI InChI=1S/C22H22F3N5O2/c23-22(24,25)17-11-26-21(29-18(17)27-14-5-6-14)28-15-7-9-16(10-8-15)30(19(31)12-1-2-12)20(32)13-3-4-13/h7-14H,1-6H2,(H2,26,27,28,29)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379445
PNG
(N4-cyclopropyl-N2-(4-ethyl-3,4-dihydro-2H-pyrido[3...)
Show SMILES CCN1CCOc2cc(Nc3ncc(c(NC4CC4)n3)C(F)(F)F)cnc12
Show InChI InChI=1S/C17H19F3N6O/c1-2-26-5-6-27-13-7-11(8-21-15(13)26)24-16-22-9-12(17(18,19)20)14(25-16)23-10-3-4-10/h7-10H,2-6H2,1H3,(H2,22,23,24,25)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379295
PNG
(US10266549, Example 182a | US10774092, Example 182...)
Show SMILES CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C(F)(F)F
Show InChI InChI=1S/C13H11F3N6/c1-17-11-9(13(14,15)16)6-20-12(22-11)21-8-4-7-2-3-18-10(7)19-5-8/h2-6H,1H3,(H,18,19)(H2,17,20,21,22)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379343
PNG
(US10266549, Example 221a | US10774092, Example 221...)
Show SMILES FC(F)(F)c1cnc(Nc2ccnnc2)nc1NC1CC1
Show InChI InChI=1S/C12H11F3N6/c13-12(14,15)9-6-16-11(20-8-3-4-17-18-5-8)21-10(9)19-7-1-2-7/h3-7H,1-2H2,(H2,16,17,19,20,21)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379376
PNG
(N4-cyclopropyl-N2-(2,2-difluorobenzo[d][1,3]dioxol...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3OC(F)(F)Oc3c2)nc1NC1CC1
Show InChI InChI=1S/C15H11F5N4O2/c16-14(17,18)9-6-21-13(24-12(9)22-7-1-2-7)23-8-3-4-10-11(5-8)26-15(19,20)25-10/h3-7H,1-2H2,(H2,21,22,23,24)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM379374
PNG
(2-((4-(cyclopropylamino)-5-(trifluoromethyl)pyrimi...)
Show SMILES Oc1ccccc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F
Show InChI InChI=1S/C14H13F3N4O/c15-14(16,17)9-7-18-13(21-12(9)19-8-5-6-8)20-10-3-1-2-4-11(10)22/h1-4,7-8,22H,5-6H2,(H2,18,19,20,21)
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TBA

Assay Description
Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00873
BindingDB Entry DOI: 10.7270/Q2TX3K0J
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50303173
PNG
(2-(5-((3-(4-(2-chlorobenzyloxy)phenyl)-1-phenyl-1H...)
Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-
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Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant vaccina H1-related phosphatase


J Med Chem 52: 6716-23 (2009)


Article DOI: 10.1021/jm901016k
BindingDB Entry DOI: 10.7270/Q2VX0GK3
More data for this
Ligand-Target Pair
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