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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'das' and Initial = 'u'   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a<0.510n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509140
PNG
(CHEMBL4453304)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20+,21+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509146
PNG
(CHEMBL4303275)
Show SMILES CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#C[C@@](C)(O)COC |r|
Show InChI InChI=1S/C18H22N4O4/c1-5-22-15(19)13(17(24)20-3)14(23)12-7-6-11(21-16(12)22)8-9-18(2,25)10-26-4/h6-7,25H,5,10,19H2,1-4H3,(H,20,24)/t18-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50413752
PNG
(CHEMBL2012519 | L-783277)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50509140
PNG
(CHEMBL4453304)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20+,21+/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50509140
PNG
(CHEMBL4453304)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20+,21+/m0/s1
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n/an/a 4.40n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509148
PNG
(CHEMBL4452766)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@H](O)[C@@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20-,21-/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509144
PNG
(CHEMBL4530473)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)C\C=C\[C@H](C)OC2=O |r,t:24|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-7,9-12,20-21,24-26H,8H2,1-2H3/b5-3+/t12-,20+,21+/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50509144
PNG
(CHEMBL4530473)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)C(=O)C\C=C\[C@H](C)OC2=O |r,t:24|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-7,9-12,20-21,24-26H,8H2,1-2H3/b5-3+/t12-,20+,21+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595527
PNG
(CHEMBL5176310)
Show SMILES COc1ccc(-c2nc3cc(ccn3c2CN2CCCC2)N2CCN(CC2)C(C)C)c(OC)c1
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n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50509142
PNG
(CHEMBL4515000)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(CCC(=O)\C=C/C[C@H](C)OC2=O)c1 |r,c:19|
Show InChI InChI=1S/C22H22O5/c1-14-5-3-8-17(23)10-9-15-6-4-7-16(11-15)19-12-18(26-2)13-20(24)21(19)22(25)27-14/h3-4,6-8,11-14,24H,5,9-10H2,1-2H3/b8-3-/t14-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595519
PNG
(CHEMBL5177422)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C2CCCC2)c(OCCCN2CCCC2)c1
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n/an/a 17n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595498
PNG
(CHEMBL5193639)
Show SMILES COc1ccc(-c2cn3ccc(NCCCN4CCCC4)cc3n2)c(OC)c1
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n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509139
PNG
(CHEMBL4533447)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20-,21+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509142
PNG
(CHEMBL4515000)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(CCC(=O)\C=C/C[C@H](C)OC2=O)c1 |r,c:19|
Show InChI InChI=1S/C22H22O5/c1-14-5-3-8-17(23)10-9-15-6-4-7-16(11-15)19-12-18(26-2)13-20(24)21(19)22(25)27-14/h3-4,6-8,11-14,24H,5,9-10H2,1-2H3/b8-3-/t14-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595508
PNG
(CHEMBL5183377)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C(C)C)c(OC)c1
PDB

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n/an/a 28n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595518
PNG
(CHEMBL5187807)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C2CCCC2)c(OCCCN2CCOCC2)c1
PDB

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n/an/a 28n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595516
PNG
(CHEMBL5197857)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCNCC2)c(OCCCN2CCOCC2)c1
PDB

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n/an/a 35n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595499
PNG
(CHEMBL5175416)
Show SMILES COc1ccc(-c2cn3ccc(NCCCn4ccnc4)cc3n2)c(OC)c1
PDB

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n/an/a 38n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595523
PNG
(CHEMBL5200138)
Show SMILES COc1ccc(-c2nc3cc(ccn3c2CN2CCCC2)N2CCN(CC2)C2CCCC2)c(OC)c1
PDB

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n/an/a 39n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595526
PNG
(CHEMBL5195571)
Show SMILES COc1ccc(-c2nc3cc(ccn3c2CN2CCOCC2)N2CCN(CC2)C(C)C)c(OC)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595508
PNG
(CHEMBL5183377)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C(C)C)c(OC)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50509139
PNG
(CHEMBL4533447)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20-,21+/m0/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595507
PNG
(CHEMBL5172466)
Show SMILES COc1ccc(cc1)-c1cn2ccc(cc2n1)N1CCN(CC1)C(C)C
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595501
PNG
(CHEMBL5193165)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCNCC2)c(OC)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595497
PNG
(CHEMBL5194647)
Show SMILES COc1ccc(-c2cn3ccc(NCCN4CCOCC4)cc3n2)c(OC)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595504
PNG
(CHEMBL5178780)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C2CCCC2)c(OC)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50509139
PNG
(CHEMBL4533447)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20-,21+/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595502
PNG
(CHEMBL5179396)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCNCC2)c(OCc2ccccc2)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595495
PNG
(CHEMBL5176935)
Show SMILES COc1ccc(cc1)-c1cn2ccc(NCCCN3CCOCC3)cc2n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50509146
PNG
(CHEMBL4303275)
Show SMILES CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#C[C@@](C)(O)COC |r|
Show InChI InChI=1S/C18H22N4O4/c1-5-22-15(19)13(17(24)20-3)14(23)12-7-6-11(21-16(12)22)8-9-18(2,25)10-26-4/h6-7,25H,5,10,19H2,1-4H3,(H,20,24)/t18-/m1/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50509142
PNG
(CHEMBL4515000)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(CCC(=O)\C=C/C[C@H](C)OC2=O)c1 |r,c:19|
Show InChI InChI=1S/C22H22O5/c1-14-5-3-8-17(23)10-9-15-6-4-7-16(11-15)19-12-18(26-2)13-20(24)21(19)22(25)27-14/h3-4,6-8,11-14,24H,5,9-10H2,1-2H3/b8-3-/t14-/m0/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595496
PNG
(CHEMBL5185556)
Show SMILES COc1ccc(-c2cn3ccc(NCCCN4CCOCC4)cc3n2)c(OC)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595503
PNG
(CHEMBL5204617)
Show SMILES COc1ccc(cc1)-c1cn2ccc(cc2n1)N1CCN(CC1)C1CCCC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50509148
PNG
(CHEMBL4452766)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@H](O)[C@@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20-,21-/m0/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595517
PNG
(CHEMBL5189243)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCNCC2)c(OCCCN2CCCC2)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50509148
PNG
(CHEMBL4452766)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@H](O)[C@@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:23|
Show InChI InChI=1S/C22H22O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,20-21,24-26H,5H2,1-2H3/b8-3-/t12-,20-,21-/m0/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595522
PNG
(CHEMBL5169933)
Show SMILES COc1ccc(-c2nc3cc(ccn3c2CN2CCOCC2)N2CCN(CC2)C2CCCC2)c(OC)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595505
PNG
(CHEMBL5174913)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C2CCCC2)c(OCc2ccccc2)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595515
PNG
(CHEMBL5191419)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C(=O)OC(C)(C)C)c(OCCCN2CCCC2)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50509147
PNG
(CHEMBL4515912)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@H](O)[C@@H](O)C(=O)CCC[C@H](C)OC2=O |r|
Show InChI InChI=1S/C22H24O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h4,6-7,9-12,20-21,24-26H,3,5,8H2,1-2H3/t12-,20-,21-/m0/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595524
PNG
(CHEMBL5205931)
Show SMILES COc1ccc(-c2nc3cc(ccn3c2CN2CCCC2)N2CCN(CC2)C2CCCC2)c(OCc2ccccc2)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595525
PNG
(CHEMBL5186293)
Show SMILES COc1ccc(-c2nc3cc(ccn3c2CN2CCCC2)N2CCN(CC2)C2CCCC2)c(O)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50595527
PNG
(CHEMBL5176310)
Show SMILES COc1ccc(-c2nc3cc(ccn3c2CN2CCCC2)N2CCN(CC2)C(C)C)c(OC)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50509146
PNG
(CHEMBL4303275)
Show SMILES CCn1c(N)c(C(=O)NC)c(=O)c2ccc(nc12)C#C[C@@](C)(O)COC |r|
Show InChI InChI=1S/C18H22N4O4/c1-5-22-15(19)13(17(24)20-3)14(23)12-7-6-11(21-16(12)22)8-9-18(2,25)10-26-4/h6-7,25H,5,10,19H2,1-4H3,(H,20,24)/t18-/m1/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50595501
PNG
(CHEMBL5193165)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCNCC2)c(OC)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50595514
PNG
(CHEMBL5177444)
Show SMILES COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C(=O)OC(C)(C)C)c(OCCCN2CCOCC2)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00386
BindingDB Entry DOI: 10.7270/Q25T3QH0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50509147
PNG
(CHEMBL4515912)
Show SMILES COc1cc(O)c2c(c1)-c1cccc(c1)[C@H](O)[C@@H](O)C(=O)CCC[C@H](C)OC2=O |r|
Show InChI InChI=1S/C22H24O7/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h4,6-7,9-12,20-21,24-26H,3,5,8H2,1-2H3/t12-,20-,21-/m0/s1
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay


J Med Chem 62: 9141-9160 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01025
BindingDB Entry DOI: 10.7270/Q2H41VR7
More data for this
Ligand-Target Pair
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