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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'evison' and Initial = 'b'   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 1.20n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) expressed in baculovirus expression system using FAM-labelled P2 pepti...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 25n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system ...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544961
PNG
(CHEMBL4632839)
Show SMILES CN1CCN(CC1)c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1
Show InChI InChI=1S/C29H29FN6O/c1-20-6-7-22(28(37)32-24-4-3-5-25(19-24)36-16-14-35(2)15-17-36)18-27(20)34-29-31-13-12-26(33-29)21-8-10-23(30)11-9-21/h3-13,18-19H,14-17H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 93n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50544967
PNG
(CHEMBL4633069)
Show SMILES CCCCc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C32H32N6O/c1-4-5-9-24-16-27(19-28(17-24)38-20-23(3)34-21-38)35-31(39)26-13-12-22(2)30(18-26)37-32-33-15-14-29(36-32)25-10-7-6-8-11-25/h6-8,10-21H,4-5,9H2,1-3H3,(H,35,39)(H,33,36,37)
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n/an/a 142n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) expressed in baculovirus expression system using FAM-labelled P2 pepti...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 158n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544978
PNG
(CHEMBL4638350)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Oc3cccc4ccncc34)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C32H32N6O2/c1-22-7-8-25(15-31(22)40-30-6-4-5-24-9-10-33-19-29(24)30)32(39)35-26-16-27(37-13-11-36(3)12-14-37)18-28(17-26)38-20-23(2)34-21-38/h4-10,15-21H,11-14H2,1-3H3,(H,35,39)
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n/an/a 227n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544967
PNG
(CHEMBL4633069)
Show SMILES CCCCc1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C32H32N6O/c1-4-5-9-24-16-27(19-28(17-24)38-20-23(3)34-21-38)35-31(39)26-13-12-22(2)30(18-26)37-32-33-15-14-29(36-32)25-10-7-6-8-11-25/h6-8,10-21H,4-5,9H2,1-3H3,(H,35,39)(H,33,36,37)
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n/an/a 302n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50544974
PNG
(CHEMBL4642181)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H23F3N6O/c1-18-8-9-21(12-26(18)37-28-33-11-10-25(36-28)20-6-4-3-5-7-20)27(39)35-23-13-22(29(30,31)32)14-24(15-23)38-16-19(2)34-17-38/h3-17H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 334n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) expressed in baculovirus expression system using FAM-labelled P2 pepti...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544969
PNG
(CHEMBL4637172)
Show SMILES Cc1cn(cn1)-c1cc(CCC(O)=O)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)c1
Show InChI InChI=1S/C31H28N6O3/c1-20-8-10-24(16-28(20)36-31-32-13-12-27(35-31)23-6-4-3-5-7-23)30(40)34-25-14-22(9-11-29(38)39)15-26(17-25)37-18-21(2)33-19-37/h3-8,10,12-19H,9,11H2,1-2H3,(H,34,40)(H,38,39)(H,32,35,36)
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n/an/a 347n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544974
PNG
(CHEMBL4642181)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H23F3N6O/c1-18-8-9-21(12-26(18)37-28-33-11-10-25(36-28)20-6-4-3-5-7-20)27(39)35-23-13-22(29(30,31)32)14-24(15-23)38-16-19(2)34-17-38/h3-17H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 592n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544975
PNG
(CHEMBL4638092)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H20F3N3O2/c1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31/h3-15H,1-2H3,(H,30,32)
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n/an/a 618n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544963
PNG
(CHEMBL4638611)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C32H30FN7O2/c1-21-3-4-24(15-30(21)38-32-34-10-9-29(37-32)23-5-7-25(33)8-6-23)31(41)36-26-16-27(39-11-13-42-14-12-39)18-28(17-26)40-19-22(2)35-20-40/h3-10,15-20H,11-14H2,1-2H3,(H,36,41)(H,34,37,38)
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n/an/a 790n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431458
PNG
(CHEMBL2348291)
Show SMILES CS(=O)(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C16H18I2N2O4S/c1-25(22,23)20-9-11(19)6-10-7-14(17)16(15(18)8-10)24-13-4-2-12(21)3-5-13/h2-5,7-8,11,20-21H,6,9,19H2,1H3/t11-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431464
PNG
(CHEMBL2348285)
Show SMILES CC(C)NC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C19H22I2N2O4/c1-11(2)22-19(26)23-13(10-24)7-12-8-16(20)18(17(21)9-12)27-15-5-3-14(25)4-6-15/h3-6,8-9,11,13,24-25H,7,10H2,1-2H3,(H2,22,23,26)/t13-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431459
PNG
(CHEMBL2348290)
Show SMILES N[C@H](CNC(=O)CCN1CCOCC1)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C22H27I2N3O4/c23-19-12-15(13-20(24)22(19)31-18-3-1-17(28)2-4-18)11-16(25)14-26-21(29)5-6-27-7-9-30-10-8-27/h1-4,12-13,16,28H,5-11,14,25H2,(H,26,29)/t16-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431467
PNG
(CHEMBL2348305)
Show SMILES N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431461
PNG
(CHEMBL2348288)
Show SMILES CC(C)NC(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C19H23I2N3O3/c1-11(2)24-19(26)23-10-13(22)7-12-8-16(20)18(17(21)9-12)27-15-5-3-14(25)4-6-15/h3-6,8-9,11,13,25H,7,10,22H2,1-2H3,(H2,23,24,26)/t13-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431460
PNG
(CHEMBL2348289)
Show SMILES N[C@H](CNC(=O)N1CCOCC1)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C20H23I2N3O4/c21-17-10-13(9-14(23)12-24-20(27)25-5-7-28-8-6-25)11-18(22)19(17)29-16-3-1-15(26)2-4-16/h1-4,10-11,14,26H,5-9,12,23H2,(H,24,27)/t14-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544973
PNG
(CHEMBL4638783)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)N1CCNCC1
Show InChI InChI=1S/C32H32N8O/c1-22-8-9-25(16-30(22)38-32-34-11-10-29(37-32)24-6-4-3-5-7-24)31(41)36-26-17-27(39-14-12-33-13-15-39)19-28(18-26)40-20-23(2)35-21-40/h3-11,16-21,33H,12-15H2,1-2H3,(H,36,41)(H,34,37,38)
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n/an/a 1.49E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431462
PNG
(CHEMBL2348287)
Show SMILES CC(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C17H18I2N2O3/c1-10(22)21-9-12(20)6-11-7-15(18)17(16(19)8-11)24-14-4-2-13(23)3-5-14/h2-5,7-8,12,23H,6,9,20H2,1H3,(H,21,22)/t12-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50544973
PNG
(CHEMBL4638783)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)N1CCNCC1
Show InChI InChI=1S/C32H32N8O/c1-22-8-9-25(16-30(22)38-32-34-11-10-29(37-32)24-6-4-3-5-7-24)31(41)36-26-17-27(39-14-12-33-13-15-39)19-28(18-26)40-20-23(2)35-21-40/h3-11,16-21,33H,12-15H2,1-2H3,(H,36,41)(H,34,37,38)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system ...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431456
PNG
(CHEMBL2348293)
Show SMILES CNC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C15H12I3NO3/c1-19-14(21)6-8-4-11(17)15(12(18)5-8)22-9-2-3-13(20)10(16)7-9/h2-5,7,20H,6H2,1H3,(H,19,21)
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n/an/a 1.90E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged SRC (1 to 536 residues) expressed in baculovirus expression system using FAM-labell...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544966
PNG
(CHEMBL4637487)
Show SMILES Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1 |r|
Show InChI InChI=1S/C34H35FN8O/c1-22-5-6-26(16-32(22)41-34-37-12-11-31(40-34)25-7-9-27(35)10-8-25)33(44)39-29-14-24(19-42-13-3-4-28(36)20-42)15-30(17-29)43-18-23(2)38-21-43/h5-12,14-18,21,28H,3-4,13,19-20,36H2,1-2H3,(H,39,44)(H,37,40,41)/t28-/m0/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50544966
PNG
(CHEMBL4637487)
Show SMILES Cc1cn(cn1)-c1cc(CN2CCC[C@H](N)C2)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1 |r|
Show InChI InChI=1S/C34H35FN8O/c1-22-5-6-26(16-32(22)41-34-37-12-11-31(40-34)25-7-9-27(35)10-8-25)33(44)39-29-14-24(19-42-13-3-4-28(36)20-42)15-30(17-29)43-18-23(2)38-21-43/h5-12,14-18,21,28H,3-4,13,19-20,36H2,1-2H3,(H,39,44)(H,37,40,41)/t28-/m0/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system ...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50544974
PNG
(CHEMBL4642181)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H23F3N6O/c1-18-8-9-21(12-26(18)37-28-33-11-10-25(36-28)20-6-4-3-5-7-20)27(39)35-23-13-22(29(30,31)32)14-24(15-23)38-16-19(2)34-17-38/h3-17H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 2.48E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system ...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544971
PNG
(CHEMBL4635318)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)-c4ccccc4)c3)cc(c2)-n2cnc(C)c2)CC1
Show InChI InChI=1S/C34H36N8O/c1-24-9-10-28(19-32(24)39-34-35-12-11-31(38-34)27-7-5-4-6-8-27)33(43)37-29-17-26(22-41-15-13-40(3)14-16-41)18-30(20-29)42-21-25(2)36-23-42/h4-12,17-21,23H,13-16,22H2,1-3H3,(H,37,43)(H,35,38,39)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50544978
PNG
(CHEMBL4638350)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Oc3cccc4ccncc34)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C32H32N6O2/c1-22-7-8-25(15-31(22)40-30-6-4-5-24-9-10-33-19-29(24)30)32(39)35-26-16-27(37-13-11-36(3)12-14-37)18-28(17-26)38-20-23(2)34-21-38/h4-10,15-21H,11-14H2,1-3H3,(H,35,39)
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n/an/a 2.61E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged SRC (1 to 536 residues) expressed in baculovirus expression system using FAM-labell...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431450
PNG
(CHEMBL2348299)
Show SMILES Oc1ccc(Oc2c(I)cc(CC(=O)N3CCOCC3)cc2I)cc1I
Show InChI InChI=1S/C18H16I3NO4/c19-13-10-12(1-2-16(13)23)26-18-14(20)7-11(8-15(18)21)9-17(24)22-3-5-25-6-4-22/h1-2,7-8,10,23H,3-6,9H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544970
PNG
(CHEMBL4642089)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C31H26N6O3/c1-20-8-10-24(16-28(20)36-31-32-13-12-27(35-31)23-6-4-3-5-7-23)30(40)34-25-14-22(9-11-29(38)39)15-26(17-25)37-18-21(2)33-19-37/h3-19H,1-2H3,(H,34,40)(H,38,39)(H,32,35,36)/b11-9+
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n/an/a 2.77E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544972
PNG
(CHEMBL4642128)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C33H34N8O/c1-23-9-10-26(17-31(23)38-33-34-12-11-30(37-33)25-7-5-4-6-8-25)32(42)36-27-18-28(40-15-13-39(3)14-16-40)20-29(19-27)41-21-24(2)35-22-41/h4-12,17-22H,13-16H2,1-3H3,(H,36,42)(H,34,37,38)
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n/an/a 2.88E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431445
PNG
(CHEMBL2348304)
Show SMILES Oc1ccc(Oc2c(I)cc(CCC(=O)NCC3CCCO3)cc2I)cc1
Show InChI InChI=1S/C20H21I2NO4/c21-17-10-13(3-8-19(25)23-12-16-2-1-9-26-16)11-18(22)20(17)27-15-6-4-14(24)5-7-15/h4-7,10-11,16,24H,1-3,8-9,12H2,(H,23,25)
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n/an/a 2.90E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431465
PNG
(CHEMBL2348284)
Show SMILES COC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C17H17I2NO5/c1-24-17(23)20-11(9-21)6-10-7-14(18)16(15(19)8-10)25-13-4-2-12(22)3-5-13/h2-5,7-8,11,21-22H,6,9H2,1H3,(H,20,23)/t11-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544962
PNG
(CHEMBL4648729)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)cc(c1)-c1cc(C)no1
Show InChI InChI=1S/C33H32FN7O2/c1-21-4-5-24(19-30(21)38-33-35-11-10-29(37-33)23-6-8-26(34)9-7-23)32(42)36-27-17-25(31-16-22(2)39-43-31)18-28(20-27)41-14-12-40(3)13-15-41/h4-11,16-20H,12-15H2,1-3H3,(H,36,42)(H,35,37,38)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431455
PNG
(CHEMBL2348294)
Show SMILES CN(C)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C16H14I3NO3/c1-20(2)15(22)7-9-5-12(18)16(13(19)6-9)23-10-3-4-14(21)11(17)8-10/h3-6,8,21H,7H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50544978
PNG
(CHEMBL4638350)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Oc3cccc4ccncc34)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C32H32N6O2/c1-22-7-8-25(15-31(22)40-30-6-4-5-24-9-10-33-19-29(24)30)32(39)35-26-16-27(37-13-11-36(3)12-14-37)18-28(17-26)38-20-23(2)34-21-38/h4-10,15-21H,11-14H2,1-3H3,(H,35,39)
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n/an/a 3.29E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system ...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM18860
PNG
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431466
PNG
(CHEMBL2348306)
Show SMILES CC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C17H17I2NO4/c1-10(22)20-12(9-21)6-11-7-15(18)17(16(19)8-11)24-14-4-2-13(23)3-5-14/h2-5,7-8,12,21,23H,6,9H2,1H3,(H,20,22)/t12-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50544973
PNG
(CHEMBL4638783)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)N1CCNCC1
Show InChI InChI=1S/C32H32N8O/c1-22-8-9-25(16-30(22)38-32-34-11-10-29(37-32)24-6-4-3-5-7-24)31(41)36-26-17-27(39-14-12-33-13-15-39)19-28(18-26)40-20-23(2)35-21-40/h3-11,16-21,33H,12-15H2,1-2H3,(H,36,41)(H,34,37,38)
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n/an/a 4.36E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-tagged SRC (1 to 536 residues) expressed in baculovirus expression system using FAM-labell...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50544971
PNG
(CHEMBL4635318)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)-c4ccccc4)c3)cc(c2)-n2cnc(C)c2)CC1
Show InChI InChI=1S/C34H36N8O/c1-24-9-10-28(19-32(24)39-34-35-12-11-31(38-34)27-7-5-4-6-8-27)33(43)37-29-17-26(22-41-15-13-40(3)14-16-41)18-30(20-29)42-21-25(2)36-23-42/h4-12,17-21,23H,13-16,22H2,1-3H3,(H,37,43)(H,35,38,39)
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n/an/a 5.42E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system ...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50544962
PNG
(CHEMBL4648729)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)cc(c1)-c1cc(C)no1
Show InChI InChI=1S/C33H32FN7O2/c1-21-4-5-24(19-30(21)38-33-35-11-10-29(37-33)23-6-8-26(34)9-7-23)32(42)36-27-17-25(31-16-22(2)39-43-31)18-28(20-27)41-14-12-40(3)13-15-41/h4-11,16-20H,12-15H2,1-3H3,(H,36,42)(H,35,37,38)
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n/an/a 5.52E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system ...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50544968
PNG
(CHEMBL4642587)
Show SMILES Cc1cn(cn1)-c1cc(CCS(N)(=O)=O)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)c1
Show InChI InChI=1S/C30H29N7O3S/c1-20-8-9-24(16-28(20)36-30-32-12-10-27(35-30)23-6-4-3-5-7-23)29(38)34-25-14-22(11-13-41(31,39)40)15-26(17-25)37-18-21(2)33-19-37/h3-10,12,14-19H,11,13H2,1-2H3,(H,34,38)(H2,31,39,40)(H,32,35,36)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-label...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431463
PNG
(CHEMBL2348286)
Show SMILES CS(=O)(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |r|
Show InChI InChI=1S/C16H17I2NO5S/c1-25(22,23)19-11(9-20)6-10-7-14(17)16(15(18)8-10)24-13-4-2-12(21)3-5-13/h2-5,7-8,11,19-21H,6,9H2,1H3/t11-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431444
PNG
(CHEMBL2348282)
Show SMILES OCCNC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C17H17I2NO4/c18-14-9-11(1-6-16(23)20-7-8-21)10-15(19)17(14)24-13-4-2-12(22)3-5-13/h2-5,9-10,21-22H,1,6-8H2,(H,20,23)
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n/an/a 6.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431468
PNG
(CHEMBL1877304)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431443
PNG
(CHEMBL2348283)
Show SMILES CCOCCNC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C19H21I2NO4/c1-2-25-10-9-22-18(24)8-3-13-11-16(20)19(17(21)12-13)26-15-6-4-14(23)5-7-15/h4-7,11-12,23H,2-3,8-10H2,1H3,(H,22,24)
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n/an/a 6.50E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50544977
PNG
(CHEMBL4649103)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Oc3ccccc3)c2)cc(c1)-n1cnc(C)c1
Show InChI InChI=1S/C29H31N5O2/c1-21-9-10-23(15-28(21)36-27-7-5-4-6-8-27)29(35)31-24-16-25(33-13-11-32(3)12-14-33)18-26(17-24)34-19-22(2)30-20-34/h4-10,15-20H,11-14H2,1-3H3,(H,31,35)
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n/an/a 7.66E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system ...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50544973
PNG
(CHEMBL4638783)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccccc3)c2)cc(c1)N1CCNCC1
Show InChI InChI=1S/C32H32N8O/c1-22-8-9-25(16-30(22)38-32-34-11-10-29(37-32)24-6-4-3-5-7-24)31(41)36-26-17-27(39-14-12-33-13-15-39)19-28(18-26)40-20-23(2)35-21-40/h3-11,16-21,33H,12-15H2,1-2H3,(H,36,41)(H,34,37,38)
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n/an/a 7.95E+3n/an/an/an/an/an/a



Nyrada Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) expressed in baculovirus expression system using FAM-labelled P2 pepti...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115344
BindingDB Entry DOI: 10.7270/Q2Z89H0P
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431448
PNG
(CHEMBL2348301)
Show SMILES Oc1ccc(Oc2c(I)cc(CC(=O)NS(=O)(=O)c3ccccc3)cc2I)cc1I
Show InChI InChI=1S/C20H14I3NO5S/c21-15-11-13(6-7-18(15)25)29-20-16(22)8-12(9-17(20)23)10-19(26)24-30(27,28)14-4-2-1-3-5-14/h1-9,11,25H,10H2,(H,24,26)
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n/an/a 8.60E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
Proliferating cell nuclear antigen


(Homo sapiens (Human))		BDBM50431446
PNG
(CHEMBL2348303)
Show SMILES Oc1ccc(Oc2c(I)cc(CCC(=O)N3CCOCC3)cc2I)cc1
Show InChI InChI=1S/C19H19I2NO4/c20-16-11-13(1-6-18(24)22-7-9-25-10-8-22)12-17(21)19(16)26-15-4-2-14(23)3-5-15/h2-5,11-12,23H,1,6-10H2
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n/an/a 9.70E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarizat...

Bioorg Med Chem 21: 1972-7 (2013)


Article DOI: 10.1016/j.bmc.2013.01.022
BindingDB Entry DOI: 10.7270/Q2JQ12CZ
More data for this
Ligand-Target Pair
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