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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'hsing-pang' and Initial = 'h'   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.760n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDGFRbeta expressed in insect cells using Ulight-Poly GAT[EAY(1:1:1)]n as substrate after 30 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KDR expressed in Sf9 insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 60 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human c-KIT using Ulight-TK peptide as substrate after 30 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Flt4 using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Src expressed in insect cells using Ulight-Poly GAT[EAY(1:1:1)]n as substrate after 10 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK1/Cyclin B expressed in insect cells using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 15 mins by LANCE met...


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Flt1 expressed in Sf9 insect cells using Ulight-TK peptide as substrate after 15 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora-A expressed in Sf21 insect cells using Ulight-RRRSLLE as substrate after 15 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKT1 expressed in insect cells using CREBtide as substrate after 60 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAK expressed in Sf9 insect cells using Ulight-TK peptide as substrate after 60 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF1R using Ulight-TK peptide as substrate after 60 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ABL expressed in insect cells using Ulight-TK peptide as substrate after 60 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human c-MET expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 60 mins by LANCE method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 950n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50111605
PNG
(3-[2,2']Bithiophenyl-5-ylmethylene-1,3-dihydro-ind...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C17H11NOS2/c19-17-13(12-4-1-2-5-14(12)18-17)10-11-7-8-16(21-11)15-6-3-9-20-15/h1-10H,(H,18,19)/b13-10-
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n/an/a 1.13E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.66E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HER2 expressed in insect cells using biotinyl-betaAbetaAbetaAAEEEEYFELVAKKK as substrate after 30 mins by HTRF method


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462227
PNG
(CHEMBL4249671)
Show SMILES COc1ccc(OC)c(NC(=O)Nc2ccc(SCc3n[nH]c(n3)-c3ccc(Cl)cc3)cc2)c1
Show InChI InChI=1S/C24H22ClN5O3S/c1-32-18-9-12-21(33-2)20(13-18)27-24(31)26-17-7-10-19(11-8-17)34-14-22-28-23(30-29-22)15-3-5-16(25)6-4-15/h3-13H,14H2,1-2H3,(H2,26,27,31)(H,28,29,30)
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n/an/a 5.51E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462228
PNG
(CHEMBL4249208)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(SCc3n[nH]c(n3)-c3ccccc3)cc2)c1
Show InChI InChI=1S/C24H21N5O2S/c1-16(30)18-8-5-9-20(14-18)26-24(31)25-19-10-12-21(13-11-19)32-15-22-27-23(29-28-22)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H2,25,26,31)(H,27,28,29)
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n/an/a 6.07E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462224
PNG
(CHEMBL1488812)
Show SMILES Cc1ccc(Cc2cc(nnc2O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H15FN2O/c1-12-2-4-13(5-3-12)10-15-11-17(20-21-18(15)22)14-6-8-16(19)9-7-14/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/a 6.16E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462229
PNG
(CHEMBL4242953)
Show SMILES Nc1c(oc2ccccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClNO2/c16-10-7-5-9(6-8-10)15-13(17)14(18)11-3-1-2-4-12(11)19-15/h1-8H,17H2
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n/an/a 6.47E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50462223
PNG
(CHEMBL4238771)
Show SMILES Clc1ccc(SCc2n[nH]c(n2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11Cl2N3S/c16-11-3-1-10(2-4-11)15-18-14(19-20-15)9-21-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,19,20)
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n/an/a 7.73E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462223
PNG
(CHEMBL4238771)
Show SMILES Clc1ccc(SCc2n[nH]c(n2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11Cl2N3S/c16-11-3-1-10(2-4-11)15-18-14(19-20-15)9-21-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,19,20)
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n/an/a 9.38E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50111605
PNG
(3-[2,2']Bithiophenyl-5-ylmethylene-1,3-dihydro-ind...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C17H11NOS2/c19-17-13(12-4-1-2-5-14(12)18-17)10-11-7-8-16(21-11)15-6-3-9-20-15/h1-10H,(H,18,19)/b13-10-
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n/an/a 9.40E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50462230
PNG
(CHEMBL172517)
Show SMILES CCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-2-20-12-8-13(18)17-14(19)10-15(21-16(17)9-12)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
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n/an/a 9.61E+3n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50111605
PNG
(3-[2,2']Bithiophenyl-5-ylmethylene-1,3-dihydro-ind...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C17H11NOS2/c19-17-13(12-4-1-2-5-14(12)18-17)10-11-7-8-16(21-11)15-6-3-9-20-15/h1-10H,(H,18,19)/b13-10-
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n/an/a 1.01E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462223
PNG
(CHEMBL4238771)
Show SMILES Clc1ccc(SCc2n[nH]c(n2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11Cl2N3S/c16-11-3-1-10(2-4-11)15-18-14(19-20-15)9-21-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,19,20)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human RET V804L mutant using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462222
PNG
(CHEMBL4241633)
Show SMILES O[C@H]1[C@@H](Oc2ccccc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H11ClO3/c16-10-7-5-9(6-8-10)15-14(18)13(17)11-3-1-2-4-12(11)19-15/h1-8,14-15,18H/t14-,15+/m1/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.49E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50462222
PNG
(CHEMBL4241633)
Show SMILES O[C@H]1[C@@H](Oc2ccccc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H11ClO3/c16-10-7-5-9(6-8-10)15-14(18)13(17)11-3-1-2-4-12(11)19-15/h1-8,14-15,18H/t14-,15+/m1/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462231
PNG
(CHEMBL4238220)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(CSc2ccc(Cl)cc2)n[nH]1
Show InChI InChI=1S/C20H22ClN5S/c1-25-10-12-26(13-11-25)17-6-2-15(3-7-17)20-22-19(23-24-20)14-27-18-8-4-16(21)5-9-18/h2-9H,10-14H2,1H3,(H,22,23,24)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM62811
PNG
(2-(4-methylphenyl)-3-oxidanyl-chromen-4-one | 3-hy...)
Show SMILES Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C16H12O3/c1-10-6-8-11(9-7-10)16-15(18)14(17)12-4-2-3-5-13(12)19-16/h2-9,18H,1H3
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n/an/a 2.09E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM62811
PNG
(2-(4-methylphenyl)-3-oxidanyl-chromen-4-one | 3-hy...)
Show SMILES Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
Show InChI InChI=1S/C16H12O3/c1-10-6-8-11(9-7-10)16-15(18)14(17)12-4-2-3-5-13(12)19-16/h2-9,18H,1H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50462230
PNG
(CHEMBL172517)
Show SMILES CCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-2-20-12-8-13(18)17-14(19)10-15(21-16(17)9-12)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
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n/an/a 3.18E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462221
PNG
(CHEMBL4244888)
Show SMILES Oc1ccc(cc1)-c1nc(CSc2ccc(Cl)cc2)n[nH]1
Show InChI InChI=1S/C15H12ClN3OS/c16-11-3-7-13(8-4-11)21-9-14-17-15(19-18-14)10-1-5-12(20)6-2-10/h1-8,20H,9H2,(H,17,18,19)
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n/an/a 3.25E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462221
PNG
(CHEMBL4244888)
Show SMILES Oc1ccc(cc1)-c1nc(CSc2ccc(Cl)cc2)n[nH]1
Show InChI InChI=1S/C15H12ClN3OS/c16-11-3-7-13(8-4-11)21-9-14-17-15(19-18-14)10-1-5-12(20)6-2-10/h1-8,20H,9H2,(H,17,18,19)
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Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50462223
PNG
(CHEMBL4238771)
Show SMILES Clc1ccc(SCc2n[nH]c(n2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11Cl2N3S/c16-11-3-1-10(2-4-11)15-18-14(19-20-15)9-21-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,19,20)
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n/an/a 4.55E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50462226
PNG
(CHEMBL1704021)
Show SMILES CC(C)(CC(O)=O)CC(=O)Nc1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C16H19N3O3/c1-16(2,10-15(21)22)9-14(20)17-13-8-12(18-19-13)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,21,22)(H2,17,18,19,20)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50462224
PNG
(CHEMBL1488812)
Show SMILES Cc1ccc(Cc2cc(nnc2O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H15FN2O/c1-12-2-4-13(5-3-12)10-15-11-17(20-21-18(15)22)14-6-8-16(19)9-7-14/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/a 5.16E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462225
PNG
(CHEMBL4237913)
Show SMILES OC(CN(CCN1CCNC1=O)CC(O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27N3O3/c25-19(17-7-3-1-4-8-17)15-23(13-14-24-12-11-22-21(24)27)16-20(26)18-9-5-2-6-10-18/h1-10,19-20,25-26H,11-16H2,(H,22,27)
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n/an/a 5.40E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462220
PNG
(CHEMBL4239930)
Show SMILES Nc1ccccc1SCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H13N3OS/c16-11-6-2-4-8-13(11)20-9-14-17-12-7-3-1-5-10(12)15(19)18-14/h1-8H,9,16H2,(H,17,18,19)
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Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462224
PNG
(CHEMBL1488812)
Show SMILES Cc1ccc(Cc2cc(nnc2O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H15FN2O/c1-12-2-4-13(5-3-12)10-15-11-17(20-21-18(15)22)14-6-8-16(19)9-7-14/h2-9,11H,10H2,1H3,(H,21,22)
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n/an/a 6.62E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human RET V804L mutant using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50462220
PNG
(CHEMBL4239930)
Show SMILES Nc1ccccc1SCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H13N3OS/c16-11-6-2-4-8-13(11)20-9-14-17-12-7-3-1-5-10(12)15(19)18-14/h1-8H,9,16H2,(H,17,18,19)
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Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462230
PNG
(CHEMBL172517)
Show SMILES CCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-2-20-12-8-13(18)17-14(19)10-15(21-16(17)9-12)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
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n/an/a 6.84E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 7.81E+4n/an/an/an/an/an/a



Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50462226
PNG
(CHEMBL1704021)
Show SMILES CC(C)(CC(O)=O)CC(=O)Nc1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C16H19N3O3/c1-16(2,10-15(21)22)9-14(20)17-13-8-12(18-19-13)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,21,22)(H2,17,18,19,20)
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Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50462225
PNG
(CHEMBL4237913)
Show SMILES OC(CN(CCN1CCNC1=O)CC(O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H27N3O3/c25-19(17-7-3-1-4-8-17)15-23(13-14-24-12-11-22-21(24)27)16-20(26)18-9-5-2-6-10-18/h1-10,19-20,25-26H,11-16H2,(H,22,27)
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Universit£ di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis


Eur J Med Chem 150: 491-505 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.080
BindingDB Entry DOI: 10.7270/Q2B27XXB
More data for this
Ligand-Target Pair