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Compile Data Set for Download or QSAR

Found 970 hits with Last Name = 'chiu' and Initial = 'c'   
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
Glycogen phosphorylase, muscle form


(Homo sapiens (Human))		BDBM50330796
PNG
(4-Fluoro-benzaldehyde4-(beta-D-glucopyranosyl)thio...)
Show SMILES CC[C@H]1O[C@@H](NC(=S)NN=Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:9.8|
Show InChI InChI=1S/C15H20FN3O4S/c1-2-10-11(20)12(21)13(22)14(23-10)18-15(24)19-17-7-8-3-5-9(16)6-4-8/h3-7,10-14,20-22H,2H2,1H3,(H2,18,19,24)/t10-,11-,12+,13-,14-/m1/s1
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 4.60E+3n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of glycogen phosphorylase b

Bioorg Med Chem 18: 7911-22 (2010)


Article DOI: 10.1016/j.bmc.2010.09.039
BindingDB Entry DOI: 10.7270/Q2DV1K3Q
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50507492
PNG
(Loxo-195 | Selitrectinib | US10966985, Compound 33...)
Show SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2
Show InChI InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1
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n/an/a 0.0700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wildtype human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of [gamma-33P]ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113673
BindingDB Entry DOI: 10.7270/Q2Z323JH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM374727
PNG
((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...)
Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r|
Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wildtype human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of [gamma-33P]ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113673
BindingDB Entry DOI: 10.7270/Q2Z323JH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50579500
PNG
(CHEMBL4864729)
Show SMILES CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1
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n/an/a 0.210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKC (unknown origin)

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113673
BindingDB Entry DOI: 10.7270/Q2Z323JH
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50181441
PNG
(BCX-1812 | CHEBI:85202 | Peramivir)
Show SMILES [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Vietnam/1194/2004 (H5N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-M...

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50181441
PNG
(BCX-1812 | CHEBI:85202 | Peramivir)
Show SMILES [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA subs...

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464877
PNG
(CHEMBL4288789)
Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
Show InChI InChI=1S/C28H42N6O8/c1-4-17(5-2)24(33-15(3)35)23-19(34-27(29)30)14-18(26(39)40)25(23)42-28(41)32-12-6-11-31-22(38)10-8-16-7-9-20(36)21(37)13-16/h7-10,13,17-19,23-25,36-37H,4-6,11-12,14H2,1-3H3,(H,31,38)(H,32,41)(H,33,35)(H,39,40)(H4,29,30,34)/b10-8+/t18-,19+,23+,24-,25+/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50181441
PNG
(BCX-1812 | CHEBI:85202 | Peramivir)
Show SMILES [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464875
PNG
(CHEMBL4285430)
Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCO)C(O)=O)NC(N)=N |r|
Show InChI InChI=1S/C19H35N5O6/c1-4-11(5-2)15(23-10(3)26)14-13(24-18(20)21)9-12(17(27)28)16(14)30-19(29)22-7-6-8-25/h11-16,25H,4-9H2,1-3H3,(H,22,29)(H,23,26)(H,27,28)(H4,20,21,24)/t12-,13+,14+,15-,16+/m0/s1
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n/an/a 0.640n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464874
PNG
(CHEMBL4278125)
Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCOCCCc1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
Show InChI InChI=1S/C28H45N5O8/c1-4-18(5-2)24(32-16(3)34)23-20(33-27(29)30)15-19(26(37)38)25(23)41-28(39)31-11-7-13-40-12-6-8-17-9-10-21(35)22(36)14-17/h9-10,14,18-20,23-25,35-36H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)(H,37,38)(H4,29,30,33)/t19-,20+,23+,24-,25+/m0/s1
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n/an/a 0.670n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464876
PNG
(CHEMBL4288995)
Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCOC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
Show InChI InChI=1S/C28H41N5O9/c1-4-17(5-2)24(32-15(3)34)23-19(33-27(29)30)14-18(26(38)39)25(23)42-28(40)31-11-6-12-41-22(37)10-8-16-7-9-20(35)21(36)13-16/h7-10,13,17-19,23-25,35-36H,4-6,11-12,14H2,1-3H3,(H,31,40)(H,32,34)(H,38,39)(H4,29,30,33)/b10-8+/t18-,19+,23+,24-,25+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA subs...

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464872
PNG
(CHEMBL4293261)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCN)C(O)=O)NC(N)=N |r|
Show InChI InChI=1S/C19H36N6O5.C2HF3O2/c1-4-11(5-2)15(24-10(3)26)14-13(25-18(21)22)9-12(17(27)28)16(14)30-19(29)23-8-6-7-20;3-2(4,5)1(6)7/h11-16H,4-9,20H2,1-3H3,(H,23,29)(H,24,26)(H,27,28)(H4,21,22,25);(H,6,7)/t12-,13+,14+,15-,16+;/m0./s1
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n/an/a 0.940n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464873
PNG
(CHEMBL4280263)
Show SMILES CCC(CC)OC1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12?,13+/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM4994
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) wild type neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate a...

Eur J Med Chem 154: 314-323 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.030
BindingDB Entry DOI: 10.7270/Q2MC92JD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50573631
PNG
(CHEMBL4873767)
Show SMILES Oc1cc(Nc2ccnc3cc(ccc23)-c2ccccc2)ccc1Cl
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TBA

Assay Description
Inhibition of VEGFR2 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00156
BindingDB Entry DOI: 10.7270/Q21C21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50028503
PNG
(CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) wild type neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate a...

Eur J Med Chem 154: 314-323 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.030
BindingDB Entry DOI: 10.7270/Q2MC92JD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50389234
PNG
(CHEMBL2063324)
Show SMILES O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1
Show InChI InChI=1S/C31H33N5O4/c37-30(26-12-14-27(15-13-26)39-19-18-36-16-4-5-17-36)33-29-20-28(34-35-29)25-10-8-23(9-11-25)21-32-31(38)40-22-24-6-2-1-3-7-24/h1-3,6-15,20H,4-5,16-19,21-22H2,(H,32,38)(H2,33,34,35,37)
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n/an/a 1n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of FLT3 autophosphorylation in human MV4-11 cells after 2 hrs by Western blot analysis

Bioorg Med Chem Lett 22: 4654-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.116
BindingDB Entry DOI: 10.7270/Q2XS5WGV
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis

J Med Chem 59: 3340-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00030
BindingDB Entry DOI: 10.7270/Q29K4D50
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) wild type neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate a...

Eur J Med Chem 154: 314-323 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.030
BindingDB Entry DOI: 10.7270/Q2MC92JD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464876
PNG
(CHEMBL4288995)
Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCOC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
Show InChI InChI=1S/C28H41N5O9/c1-4-17(5-2)24(32-15(3)34)23-19(33-27(29)30)14-18(26(38)39)25(23)42-28(40)31-11-6-12-41-22(37)10-8-16-7-9-20(35)21(36)13-16/h7-10,13,17-19,23-25,35-36H,4-6,11-12,14H2,1-3H3,(H,31,40)(H,32,34)(H,38,39)(H4,29,30,33)/b10-8+/t18-,19+,23+,24-,25+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50431093
PNG
(CHEMBL2338810)
Show SMILES CS(=O)(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21)
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n/an/a 1.10n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...

J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50431121
PNG
(CHEMBL2332037)
Show SMILES CCNC(=O)c1cccc(c1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C24H28N6O3S/c1-2-26-23(32)16-4-3-5-17(12-16)24(33)27-9-6-15-7-10-30(11-8-15)22-20-18(28-14-29-22)13-19(34-20)21(25)31/h3-5,12-15H,2,6-11H2,1H3,(H2,25,31)(H,26,32)(H,27,33)
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n/an/a 1.30n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...

J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507415
PNG
(CHEMBL4451025)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(OC(F)(F)F)cc3OC(Cn(c23)c1=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H14F3N3O7/c23-22(24,25)35-12-5-13-18-14(6-12)34-15(11-3-1-10(7-26)2-4-11)9-28(18)21(33)17(19(13)31)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30)
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n/an/a 1.40n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464877
PNG
(CHEMBL4288789)
Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
Show InChI InChI=1S/C28H42N6O8/c1-4-17(5-2)24(33-15(3)35)23-19(34-27(29)30)14-18(26(39)40)25(23)42-28(41)32-12-6-11-31-22(38)10-8-16-7-9-20(36)21(37)13-16/h7-10,13,17-19,23-25,36-37H,4-6,11-12,14H2,1-3H3,(H,31,38)(H,32,41)(H,33,35)(H,39,40)(H4,29,30,34)/b10-8+/t18-,19+,23+,24-,25+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA subs...

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50579500
PNG
(CHEMBL4864729)
Show SMILES CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKB (unknown origin)

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113673
BindingDB Entry DOI: 10.7270/Q2Z323JH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50431118
PNG
(CHEMBL2332041)
Show SMILES CC(C)(C)OC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C24H29N5O4S2/c1-24(2,3)33-23(32)17-5-4-16(34-17)22(31)26-9-6-14-7-10-29(11-8-14)21-19-15(27-13-28-21)12-18(35-19)20(25)30/h4-5,12-14H,6-11H2,1-3H3,(H2,25,30)(H,26,31)
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Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...

J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50181441
PNG
(BCX-1812 | CHEBI:85202 | Peramivir)
Show SMILES [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brisbane/10/2007(H3N2)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUN...

Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase H275Y mutant using MUNANA as substrate preincubated for 10 mins followed by substrat...

Eur J Med Chem 154: 314-323 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.030
BindingDB Entry DOI: 10.7270/Q2MC92JD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)		BDBM50028503
PNG
(CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase H275Y mutant using MUNANA as substrate preincubated for 10 mins followed by substrat...

Eur J Med Chem 154: 314-323 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.030
BindingDB Entry DOI: 10.7270/Q2MC92JD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50434621
PNG
(CHEMBL2386796)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)CC1
Show InChI InChI=1S/C31H38N8O3/c1-20-16-23(10-11-24(20)32-30(41)34-28-18-26(42-37-28)31(2,3)4)25-17-27(36-35-25)33-29(40)22-8-6-21(7-9-22)19-39-14-12-38(5)13-15-39/h6-11,16-18H,12-15,19H2,1-5H3,(H2,32,34,37,41)(H2,33,35,36,40)
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n/an/a 2n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis

Bioorg Med Chem 21: 2856-67 (2013)


Article DOI: 10.1016/j.bmc.2013.03.083
BindingDB Entry DOI: 10.7270/Q22N53NF
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM36462
PNG
(3-(4-((3-(Aminomethyl)cyclohexyl)methylamino)-6-(3...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(NCC3CCCC(CN)C3)nc(NC(C)C(C)(C)C)n2)c1
Show InChI InChI=1S/C26H42N8O2/c1-16-10-11-20(22(35)34-36-6)13-21(16)30-25-32-23(28-15-19-9-7-8-18(12-19)14-27)31-24(33-25)29-17(2)26(3,4)5/h10-11,13,17-19H,7-9,12,14-15,27H2,1-6H3,(H,34,35)(H3,28,29,30,31,32,33)
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n/an/a<2n/an/an/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...

Nat Chem Biol 5: 647-54 (2009)


Article DOI: 10.1038/nchembio.211
BindingDB Entry DOI: 10.7270/Q2MP51NX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM36463
PNG
(3-(4-((3-(Aminomethyl)cyclohexyl)methylamino)-6-(3...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(NCC3CCCC(CN)C3)nc(NC3CCCCC3)n2)c1
Show InChI InChI=1S/C26H40N8O2/c1-17-11-12-20(23(35)34-36-2)14-22(17)30-26-32-24(28-16-19-8-6-7-18(13-19)15-27)31-25(33-26)29-21-9-4-3-5-10-21/h11-12,14,18-19,21H,3-10,13,15-16,27H2,1-2H3,(H,34,35)(H3,28,29,30,31,32,33)
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n/an/a<2n/an/an/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...

Nat Chem Biol 5: 647-54 (2009)


Article DOI: 10.1038/nchembio.211
BindingDB Entry DOI: 10.7270/Q2MP51NX
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50507415
PNG
(CHEMBL4451025)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cc(OC(F)(F)F)cc3OC(Cn(c23)c1=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H14F3N3O7/c23-22(24,25)35-12-5-13-18-14(6-12)34-15(11-3-1-10(7-26)2-4-11)9-28(18)21(33)17(19(13)31)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50586463
PNG
(CHEMBL5083023)
Show SMILES CCOc1cc2ncnc(NCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F
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TBA

Assay Description
Inhibition of GST-tagged AURA Ser123 to 401 residues) (unknown origin) expressed in Sf9 insect cells using tetra-LLRASLG peptide as substrate incubat...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113673
BindingDB Entry DOI: 10.7270/Q2Z323JH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507404
PNG
(CHEMBL4443606)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cccc3OCC(c4cncs4)n(c23)c1=O
Show InChI InChI=1S/C17H13N3O6S/c21-12(22)5-19-16(24)13-15(23)8-2-1-3-10-14(8)20(17(13)25)9(6-26-10)11-4-18-7-27-11/h1-4,7,9,23H,5-6H2,(H,19,24)(H,21,22)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507419
PNG
(CHEMBL4462855)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C17H15ClN2O6/c18-10-3-1-9(2-4-10)6-20-12-8-26-7-11(12)15(23)14(17(20)25)16(24)19-5-13(21)22/h1-4,23H,5-8H2,(H,19,24)(H,21,22)
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n/an/a 2.10n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507404
PNG
(CHEMBL4443606)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cccc3OCC(c4cncs4)n(c23)c1=O
Show InChI InChI=1S/C17H13N3O6S/c21-12(22)5-19-16(24)13-15(23)8-2-1-3-10-14(8)20(17(13)25)9(6-26-10)11-4-18-7-27-11/h1-4,7,9,23H,5-6H2,(H,19,24)(H,21,22)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507420
PNG
(CHEMBL4529447)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C17H14F2N2O6/c18-9-2-1-8(11(19)3-9)5-21-12-7-27-6-10(12)15(24)14(17(21)26)16(25)20-4-13(22)23/h1-3,24H,4-7H2,(H,20,25)(H,22,23)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50507419
PNG
(CHEMBL4462855)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C17H15ClN2O6/c18-10-3-1-9(2-4-10)6-20-12-8-26-7-11(12)15(23)14(17(20)25)16(24)19-5-13(21)22/h1-4,23H,5-8H2,(H,19,24)(H,21,22)
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n/an/a 2.30n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507406
PNG
(CHEMBL4452218)
Show SMILES OC(=O)CNC(=O)c1c(O)c2cccc3NC(Cn(c23)c1=O)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N4O5/c21-20(22,23)13-5-4-9(6-24-13)12-8-27-16-10(2-1-3-11(16)26-12)17(30)15(19(27)32)18(31)25-7-14(28)29/h1-6,12,26,30H,7-8H2,(H,25,31)(H,28,29)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507407
PNG
(CHEMBL4590677)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2cnc(s2)C(F)(F)F)c1=O
Show InChI InChI=1S/C15H12F3N3O6S/c16-15(17,18)14-20-1-6(28-14)3-21-8-5-27-4-7(8)11(24)10(13(21)26)12(25)19-2-9(22)23/h1,24H,2-5H2,(H,19,25)(H,22,23)
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n/an/a 2.40n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507408
PNG
(CHEMBL4561977)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(OC(F)(F)F)cc2)c1=O
Show InChI InChI=1S/C18H15F3N2O7/c19-18(20,21)30-10-3-1-9(2-4-10)6-23-12-8-29-7-11(12)15(26)14(17(23)28)16(27)22-5-13(24)25/h1-4,26H,5-8H2,(H,22,27)(H,24,25)
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n/an/a 2.40n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50507420
PNG
(CHEMBL4529447)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C17H14F2N2O6/c18-9-2-1-8(11(19)3-9)5-21-12-7-27-6-10(12)15(24)14(17(21)26)16(25)20-4-13(22)23/h1-3,24H,4-7H2,(H,20,25)(H,22,23)
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n/an/a 2.60n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50431097
PNG
(CHEMBL2332039)
Show SMILES CCNC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C22H26N6O3S2/c1-2-24-21(30)15-3-4-16(32-15)22(31)25-8-5-13-6-9-28(10-7-13)20-18-14(26-12-27-20)11-17(33-18)19(23)29/h3-4,11-13H,2,5-10H2,1H3,(H2,23,29)(H,24,30)(H,25,31)
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n/an/a 2.70n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrat...

J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wildtype human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of [gamma-33P]ATP by hotspot kinase assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113673
BindingDB Entry DOI: 10.7270/Q2Z323JH
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))		BDBM50507408
PNG
(CHEMBL4561977)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(OC(F)(F)F)cc2)c1=O
Show InChI InChI=1S/C18H15F3N2O7/c19-18(20,21)30-10-3-1-9(2-4-10)6-23-12-8-29-7-11(12)15(26)14(17(23)28)16(27)22-5-13(24)25/h1-4,26H,5-8H2,(H,22,27)(H,24,25)
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n/an/a 3.10n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507421
PNG
(CHEMBL4462741)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2cc(F)c(F)cc2F)c1=O
Show InChI InChI=1S/C17H13F3N2O6/c18-9-2-11(20)10(19)1-7(9)4-22-12-6-28-5-8(12)15(25)14(17(22)27)16(26)21-3-13(23)24/h1-2,25H,3-6H2,(H,21,26)(H,23,24)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507409
PNG
(CHEMBL4476576)
Show SMILES OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccn(n2)-c2ccccc2)c1=O
Show InChI InChI=1S/C20H18N4O6/c25-16(26)8-21-19(28)17-18(27)14-10-30-11-15(14)23(20(17)29)9-12-6-7-24(22-12)13-4-2-1-3-5-13/h1-7,27H,8-11H2,(H,21,28)(H,25,26)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial


(Homo sapiens (Human))		BDBM50431118
PNG
(CHEMBL2332041)
Show SMILES CC(C)(C)OC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C24H29N5O4S2/c1-24(2,3)33-23(32)17-5-4-16(34-17)22(31)26-9-6-14-7-10-29(11-8-14)21-19-15(27-13-28-21)12-18(35-19)20(25)30/h4-5,12-14H,6-11H2,1-3H3,(H2,25,30)(H,26,31)
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n/an/a 3.20n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...

J Med Chem 56: 3666-79 (2013)


Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))		BDBM50507413
PNG
(CHEMBL4564341)
Show SMILES OC(=O)CNC(=O)c1c(O)c2ccc(Cl)cc2n(Cc2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C20H14ClF3N2O5/c21-12-5-6-13-14(7-12)26(9-10-1-3-11(4-2-10)20(22,23)24)19(31)16(17(13)29)18(30)25-8-15(27)28/h1-7,29H,8-9H2,(H,25,30)(H,27,28)
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as ...

ACS Med Chem Lett 9: 1193-1198 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00274
BindingDB Entry DOI: 10.7270/Q2MG7SSH
More data for this
Ligand-Target Pair
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