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Compile Data Set for Download or QSAR

Found 456 hits with Last Name = 'piao' and Initial = 'hr'   
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
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563622
PNG
(CHEMBL4778963)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1ccc2[nH]ncc2c1
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563621
PNG
(CHEMBL4748823)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2)nc1-c1ccc2[nH]ncc2c1
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TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50563622
PNG
(CHEMBL4778963)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1ccc2[nH]ncc2c1
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human p38alpha expressed in Escherichia coli assessed as incoporation of [33]Pi after 60 mins in presence of [gamma-33P]-AT...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM172452
PNG
(US9090625, 4 | US9260450, 4 | US9938289, 4)
Show SMILES CCc1cnn(c1-c1cc2cnccc2s1)-c1cccc(C)n1
Show InChI InChI=1S/C18H16N4S/c1-3-13-11-20-22(17-6-4-5-12(2)21-17)18(13)16-9-14-10-19-8-7-15(14)23-16/h4-11H,3H2,1-2H3
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n/an/a 4.30n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of ALK5 (unknown origin)

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563624
PNG
(CHEMBL4747557)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1ccc2[nH]ncc2c1
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TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563620
PNG
(CHEMBL4779584)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2[nH]ncc2c1
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563623
PNG
(CHEMBL4780141)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(F)cc2)nc1-c1ccc2[nH]ncc2c1
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM311398
PNG
(US10155763, Example 6)
Show SMILES Cc1cccc(n1)-c1nc2NCCn2c1-c1cc2cnccc2s1
Show InChI InChI=1S/C18H15N5S/c1-11-3-2-4-13(21-11)16-17(23-8-7-20-18(23)22-16)15-9-12-10-19-6-5-14(12)24-15/h2-6,9-10H,7-8H2,1H3,(H,20,22)
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n/an/a 6.10n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of ALK5 (unknown origin)

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563625
PNG
(CHEMBL4759911)
Show SMILES Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3[nH]ncc3c2)c1
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TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535746
PNG
(CHEMBL4519261)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1ccc2nsnc2c1
Show InChI InChI=1S/C22H17FN6S/c1-13-4-2-7-18(25-13)22-21(14-8-9-17-19(10-14)29-30-28-17)26-20(27-22)12-24-16-6-3-5-15(23)11-16/h2-11,24H,12H2,1H3,(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563626
PNG
(CHEMBL4798879)
Show SMILES Cc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3[nH]ncc3c2)cc1
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50015639
PNG
(CHEMBL3260567 | USRE47141, Example 2)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Eur J Med Chem 180: 15-27 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.013
BindingDB Entry DOI: 10.7270/Q28G8Q2J
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 reverse transcriptase F227L/V106A double mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrof...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 reverse transcriptase E138K mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric a...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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TBA

Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric a...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric a...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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TBA

Assay Description
Inhibition of wild type HIV1 reverse transcriptase using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric anal...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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TBA

Assay Description
Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrof...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563632
PNG
(CHEMBL4788508)
Show SMILES Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3n(C)ncc3c2)c1
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TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535750
PNG
(CHEMBL4588407)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(F)cc2)nc1-c1ccc2nsnc2c1
Show InChI InChI=1S/C22H17FN6S/c1-13-3-2-4-18(25-13)22-21(14-5-10-17-19(11-14)29-30-28-17)26-20(27-22)12-24-16-8-6-15(23)7-9-16/h2-11,24H,12H2,1H3,(H,26,27)
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Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535747
PNG
(CHEMBL4453060)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2nsnc2c1
Show InChI InChI=1S/C22H17FN6S/c1-13-5-4-8-18(25-13)22-21(14-9-10-17-19(11-14)29-30-28-17)26-20(27-22)12-24-16-7-3-2-6-15(16)23/h2-11,24H,12H2,1H3,(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563629
PNG
(CHEMBL4794179)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1ccc2n(C)ncc2c1
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TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535751
PNG
(CHEMBL4574187)
Show SMILES Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3nsnc3c2)c1
Show InChI InChI=1S/C23H20N6S/c1-14-5-3-7-17(11-14)24-13-21-26-22(16-9-10-18-20(12-16)29-30-28-18)23(27-21)19-8-4-6-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)
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Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50563621
PNG
(CHEMBL4748823)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2)nc1-c1ccc2[nH]ncc2c1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human p38alpha expressed in Escherichia coli assessed as incoporation of [33]Pi after 60 mins in presence of [gamma-33P]-AT...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563628
PNG
(CHEMBL4752915)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2n(C)ncc2c1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50015639
PNG
(CHEMBL3260567 | USRE47141, Example 2)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50015639
PNG
(CHEMBL3260567 | USRE47141, Example 2)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535749
PNG
(CHEMBL4464656)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2)nc1-c1ccc2nsnc2c1
Show InChI InChI=1S/C22H18N6S/c1-14-6-5-9-18(24-14)22-21(15-10-11-17-19(12-15)28-29-27-17)25-20(26-22)13-23-16-7-3-2-4-8-16/h2-12,23H,13H2,1H3,(H,25,26)
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n/an/a 14n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563627
PNG
(CHEMBL4756404)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2)nc1-c1ccc2n(C)ncc2c1
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TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535748
PNG
(CHEMBL4474911)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1cc2cnccc2s1
Show InChI InChI=1S/C24H21N5S/c1-15-6-3-4-8-18(15)26-14-22-28-23(19-9-5-7-16(2)27-19)24(29-22)21-12-17-13-25-11-10-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)
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Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563630
PNG
(CHEMBL4784124)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccc(F)cc2)nc1-c1ccc2n(C)ncc2c1
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535745
PNG
(CHEMBL4576341)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(F)c2)nc1-c1cc2cnccc2s1
Show InChI InChI=1S/C23H18FN5S/c1-14-4-2-7-18(27-14)22-23(20-10-15-12-25-9-8-19(15)30-20)29-21(28-22)13-26-17-6-3-5-16(24)11-17/h2-12,26H,13H2,1H3,(H,28,29)
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n/an/a 17n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535754
PNG
(CHEMBL4543738)
Show SMILES Cc1cccc(NCc2nc(-c3cc4cnccc4s3)c([nH]2)-c2cccc(C)n2)c1
Show InChI InChI=1S/C24H21N5S/c1-15-5-3-7-18(11-15)26-14-22-28-23(19-8-4-6-16(2)27-19)24(29-22)21-12-17-13-25-10-9-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)
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n/an/a 19n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 reverse transcriptase Y181C mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric a...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 reverse transcriptase K103N mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric a...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIV1 reverse transcriptase L100I mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric a...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50582100
PNG
(CHEMBL5073811)
Show SMILES COc1cc2cc(ccc2c(OC)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)C#N
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Assay Description
Inhibition of wild type HIV1 reverse transcriptase using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric anal...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50582106
PNG
(CHEMBL5080869)
Show SMILES CCCCCNc1cc(Oc2c(OC)cc3cc(ccc3c2OC)C#N)nc(Nc2ccc(cc2)C#N)n1
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Assay Description
Inhibition of wild type HIV1 reverse transcriptase using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric anal...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50563620
PNG
(CHEMBL4779584)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2[nH]ncc2c1
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TBA

Assay Description
Inhibition of recombinant human p38alpha expressed in Escherichia coli assessed as incoporation of [33]Pi after 60 mins in presence of [gamma-33P]-AT...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50103642
PNG
(4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin...)
Show SMILES Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
Show InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
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TBA

Assay Description
Inhibition of HIV1 reverse transcriptase E138K mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric a...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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Assay Description
Inhibition of HIV1 reverse transcriptase F227L/V106A double mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrof...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50582100
PNG
(CHEMBL5073811)
Show SMILES COc1cc2cc(ccc2c(OC)c1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)C#N
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Assay Description
Inhibition of HIV1 reverse transcriptase E138K mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric a...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113868
BindingDB Entry DOI: 10.7270/Q2NS0ZSB
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535756
PNG
(CHEMBL4534375)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1ccc2nsnc2c1
Show InChI InChI=1S/C23H20N6S/c1-14-6-3-4-8-17(14)24-13-21-26-22(16-10-11-18-20(12-16)29-30-28-18)23(27-21)19-9-5-7-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535757
PNG
(CHEMBL4553389)
Show SMILES Cc1ccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3nsnc3c2)cc1
Show InChI InChI=1S/C23H20N6S/c1-14-6-9-17(10-7-14)24-13-21-26-22(16-8-11-18-20(12-16)29-30-28-18)23(27-21)19-5-3-4-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)
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n/an/a 22n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50388686
PNG
(CHEMBL74656)
Show SMILES CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m0/s1
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n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114581
BindingDB Entry DOI: 10.7270/Q2280CMM
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin deoxyuridine triphosphate (biotin-dUTP) incorp...

Bioorg Med Chem 23: 4248-4255 (2015)


Article DOI: 10.1016/j.bmc.2015.06.048
BindingDB Entry DOI: 10.7270/Q2DZ0CB1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50563624
PNG
(CHEMBL4747557)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1ccc2[nH]ncc2c1
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human p38alpha expressed in Escherichia coli assessed as incoporation of [33]Pi after 60 mins in presence of [gamma-33P]-AT...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50535753
PNG
(CHEMBL4516224)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1cc2cnccc2s1
Show InChI InChI=1S/C23H18FN5S/c1-14-5-4-8-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-3-2-6-16(17)24/h2-12,26H,13H2,1H3,(H,28,29)
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n/an/a 23n/an/an/an/an/an/a



Yanbian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-AT...

Bioorg Med Chem Lett 29: 2070-2075 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.015
BindingDB Entry DOI: 10.7270/Q20868TQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50563632
PNG
(CHEMBL4788508)
Show SMILES Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3n(C)ncc3c2)c1
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TBA

Assay Description
Inhibition of recombinant human p38alpha expressed in Escherichia coli assessed as incoporation of [33]Pi after 60 mins in presence of [gamma-33P]-AT...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50563631
PNG
(CHEMBL4780013)
Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2C)nc1-c1ccc2n(C)ncc2c1
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TBA

Assay Description
Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presen...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113311
BindingDB Entry DOI: 10.7270/Q22F7S54
More data for this
Ligand-Target Pair
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