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Compile Data Set for Download or QSAR

Found 253 hits with Last Name = 'wang' and Initial = 'wj'   
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
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))		BDBM50130929
PNG
(CHEMBL3633189)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N8O2/c19-9-11-1-5-13(6-2-11)24-17-15(26(27)28)18(23-10-22-17)25-14-7-3-12(4-8-14)16(20)21/h1-8,10H,(H3,20,21)(H2,22,23,24,25)
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 1.70E+3n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1

Bioorg Med Chem Lett 25: 5449-53 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.095
BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50534666
PNG
(CHEMBL4436953)
Show SMILES Oc1cccc2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)N3CCOCC3)c12
Show InChI InChI=1S/C20H21N3O5S/c24-18-6-2-3-14-7-8-17(19(14)18)21-22-20(25)15-4-1-5-16(13-15)29(26,27)23-9-11-28-12-10-23/h1-6,13,24H,7-12H2,(H,22,25)/b21-17+
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n/an/a 1.40n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)

Bioorg Med Chem Lett 26: 4552-4557 (2016)


Article DOI: 10.1016/j.bmcl.2015.06.054
BindingDB Entry DOI: 10.7270/Q2ZS3117
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50534710
PNG
(CHEMBL4454677)
Show SMILES Oc1ccc(Cl)c2CC\C(=N/NC(=O)c3cccc(c3)S(=O)(=O)N3CCOCC3)c12
Show InChI InChI=1S/C20H20ClN3O5S/c21-16-5-7-18(25)19-15(16)4-6-17(19)22-23-20(26)13-2-1-3-14(12-13)30(27,28)24-8-10-29-11-9-24/h1-3,5,7,12,25H,4,6,8-11H2,(H,23,26)/b22-17+
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n/an/a 1.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)

Bioorg Med Chem Lett 26: 4552-4557 (2016)


Article DOI: 10.1016/j.bmcl.2015.06.054
BindingDB Entry DOI: 10.7270/Q2ZS3117
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50534708
PNG
(CHEMBL4549707)
Show SMILES CN1CCCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
Show InChI InChI=1S/C22H26N4O4S/c1-25-11-4-12-26(14-13-25)31(29,30)18-7-2-6-17(15-18)22(28)24-23-19-10-9-16-5-3-8-20(27)21(16)19/h2-3,5-8,15,27H,4,9-14H2,1H3,(H,24,28)/b23-19+
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n/an/a 2.30n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)

Bioorg Med Chem Lett 26: 4552-4557 (2016)


Article DOI: 10.1016/j.bmcl.2015.06.054
BindingDB Entry DOI: 10.7270/Q2ZS3117
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by radiometric kinase assay

J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR by radiometric kinase assay

J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50519419
PNG
(CHEMBL4584949)
Show SMILES Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39)
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n/an/a 4.20n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged cMER (578 to 872 residues) expressed in baculovirus infected Sf21 insect cells using biotin as substrate p...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50534673
PNG
(CHEMBL4546158)
Show SMILES CN1CCCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Show InChI InChI=1S/C22H25ClN4O4S/c1-26-10-3-11-27(13-12-26)32(30,31)16-5-2-4-15(14-16)22(29)25-24-19-8-6-17-18(23)7-9-20(28)21(17)19/h2,4-5,7,9,14,28H,3,6,8,10-13H2,1H3,(H,25,29)/b24-19+
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n/an/a 4.60n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)

Bioorg Med Chem Lett 26: 4552-4557 (2016)


Article DOI: 10.1016/j.bmcl.2015.06.054
BindingDB Entry DOI: 10.7270/Q2ZS3117
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519430
PNG
(CHEMBL4529670)
Show SMILES CCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C28H21F2N5O3/c1-2-25(36)35-24-14-19(9-11-31-24)38-23-8-7-18(13-21(23)30)34-28-26-22(10-12-32-28)33-15-20(27(26)37)16-3-5-17(29)6-4-16/h3-15H,2H2,1H3,(H,32,34)(H,33,37)(H,31,35,36)
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n/an/a 4.70n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50534667
PNG
(CHEMBL4588399)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2cccc(O)c12
Show InChI InChI=1S/C21H24N4O4S/c1-24-10-12-25(13-11-24)30(28,29)17-6-2-5-16(14-17)21(27)23-22-18-9-8-15-4-3-7-19(26)20(15)18/h2-7,14,26H,8-13H2,1H3,(H,23,27)/b22-18+
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n/an/a 4.90n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)

Bioorg Med Chem Lett 26: 4552-4557 (2016)


Article DOI: 10.1016/j.bmcl.2015.06.054
BindingDB Entry DOI: 10.7270/Q2ZS3117
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519419
PNG
(CHEMBL4584949)
Show SMILES Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39)
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n/an/a 7.10n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 7.60n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519424
PNG
(CHEMBL4434974)
Show SMILES Fc1ccc(cc1)-c1c[nH]c2ccnc(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)c2c1=O
Show InChI InChI=1S/C29H21F2N5O3/c30-18-5-3-16(4-6-18)21-15-34-23-10-12-33-28(26(23)27(21)37)35-19-7-8-24(22(31)13-19)39-20-9-11-32-25(14-20)36-29(38)17-1-2-17/h3-15,17H,1-2H2,(H,33,35)(H,34,37)(H,32,36,38)
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n/an/a 8.10n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50519419
PNG
(CHEMBL4584949)
Show SMILES Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39)
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n/an/a 8.20n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST-tagged AXL (473 to end residues) expressed in baculovirus infected Sf21 insect cells using...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50519424
PNG
(CHEMBL4434974)
Show SMILES Fc1ccc(cc1)-c1c[nH]c2ccnc(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)c2c1=O
Show InChI InChI=1S/C29H21F2N5O3/c30-18-5-3-16(4-6-18)21-15-34-23-10-12-33-28(26(23)27(21)37)35-19-7-8-24(22(31)13-19)39-20-9-11-32-25(14-20)36-29(38)17-1-2-17/h3-15,17H,1-2H2,(H,33,35)(H,34,37)(H,32,36,38)
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n/an/a 8.80n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50534661
PNG
(CHEMBL4540594)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N\N=C1/CCc2c1c(O)ccc2Cl
Show InChI InChI=1S/C21H23ClN4O4S/c1-25-9-11-26(12-10-25)31(29,30)15-4-2-3-14(13-15)21(28)24-23-18-7-5-16-17(22)6-8-19(27)20(16)18/h2-4,6,8,13,27H,5,7,9-12H2,1H3,(H,24,28)/b23-18+
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n/an/a 9.20n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)

Bioorg Med Chem Lett 26: 4552-4557 (2016)


Article DOI: 10.1016/j.bmcl.2015.06.054
BindingDB Entry DOI: 10.7270/Q2ZS3117
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519416
PNG
(CHEMBL4580644)
Show SMILES Nc1nccc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)c1Cl
Show InChI InChI=1S/C25H16ClF2N5O2/c26-22-20(8-10-30-24(22)29)35-19-6-5-15(11-17(19)28)33-25-21-18(7-9-31-25)32-12-16(23(21)34)13-1-3-14(27)4-2-13/h1-12H,(H2,29,30)(H,31,33)(H,32,34)
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n/an/a 9.80n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519432
PNG
(CHEMBL4469760)
Show SMILES Fc1ccc(cc1)-c1c[nH]c2ccnc(Nc3ccc(Oc4ccnc(NC(=O)C5CCCCC5)c4)c(F)c3)c2c1=O
Show InChI InChI=1S/C32H27F2N5O3/c33-21-8-6-19(7-9-21)24-18-37-26-13-15-36-31(29(26)30(24)40)38-22-10-11-27(25(34)16-22)42-23-12-14-35-28(17-23)39-32(41)20-4-2-1-3-5-20/h6-18,20H,1-5H2,(H,36,38)(H,37,40)(H,35,39,41)
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Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519423
PNG
(CHEMBL4575352)
Show SMILES OCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C27H19F2N5O4/c28-16-3-1-15(2-4-16)19-13-32-21-8-10-31-27(25(21)26(19)37)33-17-5-6-22(20(29)11-17)38-18-7-9-30-23(12-18)34-24(36)14-35/h1-13,35H,14H2,(H,31,33)(H,32,37)(H,30,34,36)
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n/an/a 9.90n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519418
PNG
(CHEMBL4513894)
Show SMILES CC(O)C(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C28H21F2N5O4/c1-15(36)28(38)35-24-13-19(8-10-31-24)39-23-7-6-18(12-21(23)30)34-27-25-22(9-11-32-27)33-14-20(26(25)37)16-2-4-17(29)5-3-16/h2-15,36H,1H3,(H,32,34)(H,33,37)(H,31,35,38)
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n/an/a 12n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519426
PNG
(CHEMBL4530342)
Show SMILES CCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C29H23F2N5O3/c1-2-3-26(37)36-25-15-20(10-12-32-25)39-24-9-8-19(14-22(24)31)35-29-27-23(11-13-33-29)34-16-21(28(27)38)17-4-6-18(30)7-5-17/h4-16H,2-3H2,1H3,(H,33,35)(H,34,38)(H,32,36,37)
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n/an/a 15n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519429
PNG
(CHEMBL4443752)
Show SMILES CCCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C30H25F2N5O3/c1-2-3-4-27(38)37-26-16-21(11-13-33-26)40-25-10-9-20(15-23(25)32)36-30-28-24(12-14-34-30)35-17-22(29(28)39)18-5-7-19(31)8-6-18/h5-17H,2-4H2,1H3,(H,34,36)(H,35,39)(H,33,37,38)
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n/an/a 15n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519428
PNG
(CHEMBL4578452)
Show SMILES CCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C31H25F2N5O3/c1-2-38-17-23(18-5-7-20(32)8-6-18)29(39)28-25(38)12-14-35-30(28)36-21-9-10-26(24(33)15-21)41-22-11-13-34-27(16-22)37-31(40)19-3-4-19/h5-17,19H,2-4H2,1H3,(H,35,36)(H,34,37,40)
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n/an/a 16n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519431
PNG
(CHEMBL4468880)
Show SMILES CC(C)C(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C29H23F2N5O3/c1-16(2)29(38)36-25-14-20(9-11-32-25)39-24-8-7-19(13-22(24)31)35-28-26-23(10-12-33-28)34-15-21(27(26)37)17-3-5-18(30)6-4-17/h3-16H,1-2H3,(H,33,35)(H,34,37)(H,32,36,38)
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n/an/a 18n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50519426
PNG
(CHEMBL4530342)
Show SMILES CCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C29H23F2N5O3/c1-2-3-26(37)36-25-15-20(10-12-32-25)39-24-9-8-19(14-22(24)31)35-29-27-23(11-13-33-29)34-16-21(28(27)38)17-4-6-18(30)7-5-17/h4-16H,2-3H2,1H3,(H,33,35)(H,34,38)(H,32,36,37)
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n/an/a 19n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50519430
PNG
(CHEMBL4529670)
Show SMILES CCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C28H21F2N5O3/c1-2-25(36)35-24-14-19(9-11-31-24)38-23-8-7-18(13-21(23)30)34-28-26-22(10-12-32-28)33-15-20(27(26)37)16-3-5-17(29)6-4-16/h3-15H,2H2,1H3,(H,32,34)(H,33,37)(H,31,35,36)
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n/an/a 20n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 20n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by radiometric kinase assay

J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519427
PNG
(CHEMBL4459121)
Show SMILES CC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C27H19F2N5O3/c1-15(35)33-24-13-19(8-10-30-24)37-23-7-6-18(12-21(23)29)34-27-25-22(9-11-31-27)32-14-20(26(25)36)16-2-4-17(28)5-3-16/h2-14H,1H3,(H,31,34)(H,32,36)(H,30,33,35)
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n/an/a 21n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 22n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt3

Bioorg Med Chem Lett 25: 4534-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.068
BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50123808
PNG
(CHEMBL3623372)
Show SMILES CN(C)CCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C24H29N7O3S/c1-24(2,3)19-12-20(29-34-19)28-22(33)26-16-8-6-15(7-9-16)17-13-31-18(14-35-23(31)27-17)21(32)25-10-11-30(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,25,32)(H2,26,28,29,33)
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n/an/a 22n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt3

Bioorg Med Chem Lett 25: 4534-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.068
BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519417
PNG
(CHEMBL4567013)
Show SMILES Fc1ccc(cc1)-c1c[nH]c2ccnc(Nc3ccc(Oc4ccnc(NC(=O)C5CCC5)c4)c(F)c3)c2c1=O
Show InChI InChI=1S/C30H23F2N5O3/c31-19-6-4-17(5-7-19)22-16-35-24-11-13-34-29(27(24)28(22)38)36-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)37-30(39)18-2-1-3-18/h4-16,18H,1-3H2,(H,34,36)(H,35,38)(H,33,37,39)
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n/an/a 24n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM50519419
PNG
(CHEMBL4584949)
Show SMILES Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39)
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n/an/a 26n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged TEK (817 to 1101 residues) expressed in baculovirus expression system using biotin as substrate preincubat...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519420
PNG
(CHEMBL4518360)
Show SMILES CC(C)(O)Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C33H29F2N5O4/c1-33(2,43)18-40-17-24(19-5-7-21(34)8-6-19)30(41)29-26(40)12-14-37-31(29)38-22-9-10-27(25(35)15-22)44-23-11-13-36-28(16-23)39-32(42)20-3-4-20/h5-17,20,43H,3-4,18H2,1-2H3,(H,37,38)(H,36,39,42)
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n/an/a 26n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50519429
PNG
(CHEMBL4443752)
Show SMILES CCCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C30H25F2N5O3/c1-2-3-4-27(38)37-26-16-21(11-13-33-26)40-25-10-9-20(15-23(25)32)36-30-28-24(12-14-34-30)35-17-22(29(28)39)18-5-7-19(31)8-6-18/h5-17H,2-4H2,1H3,(H,34,36)(H,35,39)(H,33,37,38)
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n/an/a 27n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519425
PNG
(CHEMBL4460341)
Show SMILES CC(C)(C)C(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C30H25F2N5O3/c1-30(2,3)29(39)37-25-15-20(10-12-33-25)40-24-9-8-19(14-22(24)32)36-28-26-23(11-13-34-28)35-16-21(27(26)38)17-4-6-18(31)7-5-17/h4-16H,1-3H3,(H,34,36)(H,35,38)(H,33,37,39)
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n/an/a 28n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))		BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 30n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERBB4 by radiometric kinase assay

J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM50519419
PNG
(CHEMBL4584949)
Show SMILES Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39)
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n/an/a 33n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged TRKA catalytic domain (441 to 796 residues) expressed in baculovirus expression system using biotin as sub...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519421
PNG
(CHEMBL4580861)
Show SMILES OCCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C31H25F2N5O4/c32-20-5-3-18(4-6-20)23-17-38(13-14-39)25-10-12-35-30(28(25)29(23)40)36-21-7-8-26(24(33)15-21)42-22-9-11-34-27(16-22)37-31(41)19-1-2-19/h3-12,15-17,19,39H,1-2,13-14H2,(H,35,36)(H,34,37,41)
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n/an/a 34n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50519422
PNG
(CHEMBL4549272)
Show SMILES CC(C)(O)C(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C29H23F2N5O4/c1-29(2,39)28(38)36-24-14-19(9-11-32-24)40-23-8-7-18(13-21(23)31)35-27-25-22(10-12-33-27)34-15-20(26(25)37)16-3-5-17(30)6-4-16/h3-15,39H,1-2H3,(H,33,35)(H,34,37)(H,32,36,38)
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n/an/a 35n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate additio...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50519427
PNG
(CHEMBL4459121)
Show SMILES CC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C27H19F2N5O3/c1-15(35)33-24-13-19(8-10-30-24)37-23-7-6-18(12-21(23)29)34-27-25-22(9-11-31-27)32-14-20(26(25)36)16-2-4-17(28)5-3-16/h2-14H,1H3,(H,31,34)(H,32,36)(H,30,33,35)
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n/an/a 38n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM50519419
PNG
(CHEMBL4584949)
Show SMILES Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39)
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n/an/a 41n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged RSE catalytic domain (451 to 890 residues) expressed in baculovirus expression system using biotin as subs...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 43n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Fms

Bioorg Med Chem Lett 25: 4534-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.068
BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))		BDBM50519419
PNG
(CHEMBL4584949)
Show SMILES Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc12
Show InChI InChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39)
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n/an/a 59n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged TRKB catalytic domain (526 to 838 residues) expressed in baculovirus expression system using biotin as sub...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50519423
PNG
(CHEMBL4575352)
Show SMILES OCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C27H19F2N5O4/c28-16-3-1-15(2-4-16)19-13-32-21-8-10-31-27(25(21)26(19)37)33-17-5-6-22(20(29)11-17)38-18-7-9-30-23(12-18)34-24(36)14-35/h1-13,35H,14H2,(H,31,33)(H,32,37)(H,30,34,36)
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n/an/a 59n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM50399676
PNG
(CHEMBL2178352 | US9096601, 8-26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32)
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n/an/a 60n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERBB2 by radiometric kinase assay

J Med Chem 55: 10685-99 (2012)


Article DOI: 10.1021/jm301365e
BindingDB Entry DOI: 10.7270/Q2251KBV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50519417
PNG
(CHEMBL4567013)
Show SMILES Fc1ccc(cc1)-c1c[nH]c2ccnc(Nc3ccc(Oc4ccnc(NC(=O)C5CCC5)c4)c(F)c3)c2c1=O
Show InChI InChI=1S/C30H23F2N5O3/c31-19-6-4-17(5-7-19)22-16-35-24-11-13-34-29(27(24)28(22)38)36-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)37-30(39)18-2-1-3-18/h4-16,18H,1-3H2,(H,34,36)(H,35,38)(H,33,37,39)
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n/an/a 61n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50519416
PNG
(CHEMBL4580644)
Show SMILES Nc1nccc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)c1Cl
Show InChI InChI=1S/C25H16ClF2N5O2/c26-22-20(8-10-30-24(22)29)35-19-6-5-15(11-17(19)28)33-25-21-18(7-9-31-25)32-12-16(23(21)34)13-1-3-14(27)4-2-13/h1-12H,(H2,29,30)(H,31,33)(H,32,34)
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n/an/a 68n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50123806
PNG
(CHEMBL3623373)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(csc3n2)C(=O)NCCS(C)(=O)=O)no1
Show InChI InChI=1S/C23H26N6O5S2/c1-23(2,3)18-11-19(28-34-18)27-21(31)25-15-7-5-14(6-8-15)16-12-29-17(13-35-22(29)26-16)20(30)24-9-10-36(4,32)33/h5-8,11-13H,9-10H2,1-4H3,(H,24,30)(H2,25,27,28,31)
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n/an/a 95n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt3

Bioorg Med Chem Lett 25: 4534-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.068
BindingDB Entry DOI: 10.7270/Q24X59MV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 139n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50519431
PNG
(CHEMBL4468880)
Show SMILES CC(C)C(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
Show InChI InChI=1S/C29H23F2N5O3/c1-16(2)29(38)36-25-14-20(9-11-32-25)39-24-8-7-19(13-22(24)31)35-28-26-23(10-12-33-28)34-15-21(27(26)37)17-3-5-18(30)6-4-17/h3-16H,1-2H3,(H,33,35)(H,34,37)(H,32,36,38)
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n/an/a 230n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addi...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111803
BindingDB Entry DOI: 10.7270/Q2KH0RQK
More data for this
Ligand-Target Pair
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