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Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'wu' and Initial = 'yc'   
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
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565052
PNG
(CHEMBL4792609)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1
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n/an/a 0.820n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured a...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565051
PNG
(CHEMBL4783930)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1
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TBA

Assay Description
Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured a...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565051
PNG
(CHEMBL4783930)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1
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n/an/a 0.880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565052
PNG
(CHEMBL4792609)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1
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TBA

Assay Description
Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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 1.5n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
BindingDB Entry DOI: 10.7270/Q23F4SZM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(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 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Flt4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
Hepatocyte 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 1.70n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
BindingDB Entry DOI: 10.7270/Q23F4SZM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte 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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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
BindingDB Entry DOI: 10.7270/Q23F4SZM
More data for this
Ligand-Target Pair
Hepatocyte 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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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565052
PNG
(CHEMBL4792609)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measure...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50551663
PNG
(CHEMBL4779315)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC
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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50551665
PNG
(CHEMBL4740664)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)[C@@H](OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC |r|
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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50551664
PNG
(CHEMBL4761612)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)[C@H](OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC |r|
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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50564969
PNG
(CHEMBL4799113)
Show SMILES COCC\C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1)=N/S(=O)(=O)Cc1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50551667
PNG
(CHEMBL4752320)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccccc4F)C(C)(C)C)cc3F)c2cc1OC
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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
Macrophage-stimulating protein 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 3.5n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
BindingDB Entry DOI: 10.7270/Q23F4SZM
More data for this
Ligand-Target Pair
Macrophage-stimulating protein 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 3.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ron (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565051
PNG
(CHEMBL4783930)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1
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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measure...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565053
PNG
(CHEMBL4790157)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1
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TBA

Assay Description
Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured a...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50564965
PNG
(CHEMBL4790582)
Show SMILES COCC\C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1)=N/S(=O)(=O)Cc1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565052
PNG
(CHEMBL4792609)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1
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TBA

Assay Description
Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Macrophage-stimulating protein 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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TBA

Assay Description
Inhibition of Ron (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565054
PNG
(CHEMBL4783872)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured a...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50564967
PNG
(CHEMBL4778488)
Show SMILES COCC\C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c(OC)cc23)c(F)c1)=N/S(=O)(=O)Cc1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50564969
PNG
(CHEMBL4799113)
Show SMILES COCC\C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1)=N/S(=O)(=O)Cc1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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TBA

Assay Description
Inhibition of VEGFR 2 (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50551663
PNG
(CHEMBL4779315)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC
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TBA

Assay Description
Inhibition of c-Kit (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565054
PNG
(CHEMBL4783872)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O
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TBA

Assay Description
Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50510573
PNG
(CHEMBL4535560)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C31H32F2N4O7S/c1-41-29-18-24-26(19-30(29)43-14-2-11-37-12-15-42-16-13-37)34-10-9-27(24)44-28-8-7-23(17-25(28)33)35-31(38)36-45(39,40)20-21-3-5-22(32)6-4-21/h3-10,17-19H,2,11-16,20H2,1H3,(H2,35,36,38)
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School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
BindingDB Entry DOI: 10.7270/Q23F4SZM
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(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 4.60n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
BindingDB Entry DOI: 10.7270/Q23F4SZM
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50551666
PNG
(CHEMBL4799621)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4cccc(F)c4)C(C)(C)C)cc3F)c2cc1OC
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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565053
PNG
(CHEMBL4790157)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measure...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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TBA

Assay Description
Inhibition of VEGFR2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(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 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT-4 (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565051
PNG
(CHEMBL4783930)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1
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n/an/a 5.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50564963
PNG
(CHEMBL4790980)
Show SMILES COCC\C(Nc1ccc(Oc2ccnc3cc(OCCCN4CCC(C)CC4)c(OC)cc23)c(F)c1)=N/S(=O)(=O)Cc1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(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 5.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT-3 (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565054
PNG
(CHEMBL4783872)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measure...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565053
PNG
(CHEMBL4790157)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1
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n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured aft...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(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 5.40n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
BindingDB Entry DOI: 10.7270/Q23F4SZM
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565053
PNG
(CHEMBL4790157)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50564936
PNG
(CHEMBL4790688)
Show SMILES COCC\C(Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1)=N/S(=O)(=O)Cc1ccc(Cl)cc1
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(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 5.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDGFR alpha (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112470
BindingDB Entry DOI: 10.7270/Q2QN6BJ8
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(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 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565054
PNG
(CHEMBL4783872)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50510571
PNG
(CHEMBL4575176)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C32H34F2N4O6S/c1-42-30-19-25-27(20-31(30)43-17-5-16-38-14-3-2-4-15-38)35-13-12-28(25)44-29-11-10-24(18-26(29)34)36-32(39)37-45(40,41)21-22-6-8-23(33)9-7-22/h6-13,18-20H,2-5,14-17,21H2,1H3,(H2,36,37,39)
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n/an/a 5.80n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
BindingDB Entry DOI: 10.7270/Q23F4SZM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551663
PNG
(CHEMBL4779315)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112241
BindingDB Entry DOI: 10.7270/Q21R6V5C
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50565052
PNG
(CHEMBL4792609)
Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured aft...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112422
BindingDB Entry DOI: 10.7270/Q22Z1974
More data for this
Ligand-Target Pair
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