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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'ham' and Initial = 'yj'   
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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518408
PNG
(CHEMBL4483816)
Show SMILES Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Show InChI InChI=1S/C22H19N7OS/c1-12-5-3-6-14(26-12)9-29-17-8-4-7-16(18(17)13(2)28-29)27-22(30)15-10-31-20-19(15)24-11-25-21(20)23/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H2,23,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM32362
PNG
(5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]m...)
Show SMILES COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
Show InChI InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518404
PNG
(CHEMBL4455896)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12
Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518405
PNG
(CHEMBL4462286)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3ccncc3)nc(Br)c12
Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)2-1-3-14(15)28(27-18)8-11-4-6-23-7-5-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50187114
PNG
(CHEMBL3823303)
Show SMILES CCc1cc(Nc2ncc(F)c(n2)-c2cnc3cccnn23)cc(OCCN2CCC(O)CC2)c1
Show InChI InChI=1S/C25H28FN7O2/c1-2-17-12-18(14-20(13-17)35-11-10-32-8-5-19(34)6-9-32)30-25-28-15-21(26)24(31-25)22-16-27-23-4-3-7-29-33(22)23/h3-4,7,12-16,19,34H,2,5-6,8-11H2,1H3,(H,28,30,31)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50187114
PNG
(CHEMBL3823303)
Show SMILES CCc1cc(Nc2ncc(F)c(n2)-c2cnc3cccnn23)cc(OCCN2CCC(O)CC2)c1
Show InChI InChI=1S/C25H28FN7O2/c1-2-17-12-18(14-20(13-17)35-11-10-32-8-5-19(34)6-9-32)30-25-28-15-21(26)24(31-25)22-16-27-23-4-3-7-29-33(22)23/h3-4,7,12-16,19,34H,2,5-6,8-11H2,1H3,(H,28,30,31)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))		BDBM50187114
PNG
(CHEMBL3823303)
Show SMILES CCc1cc(Nc2ncc(F)c(n2)-c2cnc3cccnn23)cc(OCCN2CCC(O)CC2)c1
Show InChI InChI=1S/C25H28FN7O2/c1-2-17-12-18(14-20(13-17)35-11-10-32-8-5-19(34)6-9-32)30-25-28-15-21(26)24(31-25)22-16-27-23-4-3-7-29-33(22)23/h3-4,7,12-16,19,34H,2,5-6,8-11H2,1H3,(H,28,30,31)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged TAK1 (unknown origin) co-expressed with TAB (unknown origin) in baculovirus using BT-MKK as substrate after 1 h...

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))		BDBM50187114
PNG
(CHEMBL3823303)
Show SMILES CCc1cc(Nc2ncc(F)c(n2)-c2cnc3cccnn23)cc(OCCN2CCC(O)CC2)c1
Show InChI InChI=1S/C25H28FN7O2/c1-2-17-12-18(14-20(13-17)35-11-10-32-8-5-19(34)6-9-32)30-25-28-15-21(26)24(31-25)22-16-27-23-4-3-7-29-33(22)23/h3-4,7,12-16,19,34H,2,5-6,8-11H2,1H3,(H,28,30,31)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLAG-tagged TAK1 (unknown origin) co-expressed with TAB (unknown origin) in baculovirus using BT-MKK as substrate after 1 h...

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518403
PNG
(CHEMBL4448250)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3ccccn3)nc(Br)c12
Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)5-3-6-14(15)28(27-18)8-11-4-1-2-7-23-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518415
PNG
(CHEMBL4436822)
Show SMILES CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Show InChI InChI=1S/C23H21N7OS/c1-3-16-19-17(28-23(31)15-11-32-21-20(15)25-12-26-22(21)24)8-5-9-18(19)30(29-16)10-14-7-4-6-13(2)27-14/h4-9,11-12H,3,10H2,1-2H3,(H,28,31)(H2,24,25,26)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50042034
PNG
((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10|
Show InChI InChI=1S/C19H22O7/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/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1
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Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of full length TAK1/TAB1 (unknown origin) using biotin-MKK6 as substrate by AlphaScreen assay

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50042034
PNG
((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10|
Show InChI InChI=1S/C19H22O7/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/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1
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Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of full length TAK1/TAB1 (unknown origin) using biotin-MKK6 as substrate by AlphaScreen assay

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518399
PNG
(CHEMBL4552261)
Show SMILES Cc1cccc(Cn2nc(I)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)n1
Show InChI InChI=1S/C21H16IN7OS/c1-11-4-2-5-12(26-11)8-29-15-7-3-6-14(16(15)19(22)28-29)27-21(30)13-9-31-18-17(13)24-10-25-20(18)23/h2-7,9-10H,8H2,1H3,(H,27,30)(H2,23,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518413
PNG
(CHEMBL4519682)
Show SMILES COc1cccc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)n1
Show InChI InChI=1S/C21H16BrN7O2S/c1-31-15-7-2-4-11(26-15)8-29-14-6-3-5-13(16(14)19(22)28-29)27-21(30)12-9-32-18-17(12)24-10-25-20(18)23/h2-7,9-10H,8H2,1H3,(H,27,30)(H2,23,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518409
PNG
(CHEMBL4446242)
Show SMILES Cc1cccc(Cn2nc(C=C)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)n1
Show InChI InChI=1S/C23H19N7OS/c1-3-16-19-17(28-23(31)15-11-32-21-20(15)25-12-26-22(21)24)8-5-9-18(19)30(29-16)10-14-7-4-6-13(2)27-14/h3-9,11-12H,1,10H2,2H3,(H,28,31)(H2,24,25,26)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518410
PNG
(CHEMBL4446254)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccc(Br)n3)nc(Br)c12
Show InChI InChI=1S/C20H13Br2N7OS/c21-14-6-1-3-10(26-14)7-29-13-5-2-4-12(15(13)18(22)28-29)27-20(30)11-8-31-17-16(11)24-9-25-19(17)23/h1-6,8-9H,7H2,(H,27,30)(H2,23,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518401
PNG
(CHEMBL4438472)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccc(F)n3)nc(Br)c12
Show InChI InChI=1S/C20H13BrFN7OS/c21-18-15-12(27-20(30)11-8-31-17-16(11)24-9-25-19(17)23)4-2-5-13(15)29(28-18)7-10-3-1-6-14(22)26-10/h1-6,8-9H,7H2,(H,27,30)(H2,23,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518402
PNG
(CHEMBL4532017)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3ccccc3)nc(Br)c12
Show InChI InChI=1S/C21H15BrN6OS/c22-19-16-14(26-21(29)13-10-30-18-17(13)24-11-25-20(18)23)7-4-8-15(16)28(27-19)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,26,29)(H2,23,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518414
PNG
(CHEMBL4439265)
Show SMILES CCn1nc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)cc1C(C)C
Show InChI InChI=1S/C23H23BrN8OS/c1-4-31-17(12(2)3)8-13(29-31)9-32-16-7-5-6-15(18(16)21(24)30-32)28-23(33)14-10-34-20-19(14)26-11-27-22(20)25/h5-8,10-12H,4,9H2,1-3H3,(H,28,33)(H2,25,26,27)
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n/an/a 19n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518407
PNG
(CHEMBL4520105)
Show SMILES Cc1cccc(Cn2nc(Cl)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)n1
Show InChI InChI=1S/C21H16ClN7OS/c1-11-4-2-5-12(26-11)8-29-15-7-3-6-14(16(15)19(22)28-29)27-21(30)13-9-31-18-17(13)24-10-25-20(18)23/h2-7,9-10H,8H2,1H3,(H,27,30)(H2,23,24,25)
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n/an/a 20n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518412
PNG
(CHEMBL4454323)
Show SMILES Cc1cccc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)n1
Show InChI InChI=1S/C21H16BrN7OS/c1-11-4-2-5-12(26-11)8-29-15-7-3-6-14(16(15)19(22)28-29)27-21(30)13-9-31-18-17(13)24-10-25-20(18)23/h2-7,9-10H,8H2,1H3,(H,27,30)(H2,23,24,25)
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n/an/a 23n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518406
PNG
(CHEMBL4455645)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(CC#C)nc(Br)c12
Show InChI InChI=1S/C17H11BrN6OS/c1-2-6-24-11-5-3-4-10(12(11)15(18)23-24)22-17(25)9-7-26-14-13(9)20-8-21-16(14)19/h1,3-5,7-8H,6H2,(H,22,25)(H2,19,20,21)
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n/an/a 26n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518400
PNG
(CHEMBL4447898)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(CC3CCCCC3)nc(Br)c12
Show InChI InChI=1S/C21H21BrN6OS/c22-19-16-14(26-21(29)13-10-30-18-17(13)24-11-25-20(18)23)7-4-8-15(16)28(27-19)9-12-5-2-1-3-6-12/h4,7-8,10-12H,1-3,5-6,9H2,(H,26,29)(H2,23,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50518411
PNG
(CHEMBL4580020)
Show SMILES COc1ccc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc23)cc1
Show InChI InChI=1S/C22H17BrN6O2S/c1-31-13-7-5-12(6-8-13)9-29-16-4-2-3-15(17(16)20(23)28-29)27-22(30)14-10-32-19-18(14)25-11-26-21(19)24/h2-8,10-11H,9H2,1H3,(H,27,30)(H2,24,25,26)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50529793
PNG
(CHEMBL4586372)
Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12
Show InChI InChI=1S/C30H32N8O/c1-19-16-21(12-13-23(19)24-18-32-27(33-20-10-11-20)28-31-14-15-37(24)28)34-29(39)35-26-17-25(30(2,3)4)36-38(26)22-8-6-5-7-9-22/h5-9,12-18,20H,10-11H2,1-4H3,(H,32,33)(H2,34,35,39)
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n/an/a 37n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50529793
PNG
(CHEMBL4586372)
Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12
Show InChI InChI=1S/C30H32N8O/c1-19-16-21(12-13-23(19)24-18-32-27(33-20-10-11-20)28-31-14-15-37(24)28)34-29(39)35-26-17-25(30(2,3)4)36-38(26)22-8-6-5-7-9-22/h5-9,12-18,20H,10-11H2,1-4H3,(H,32,33)(H2,34,35,39)
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n/an/a 37n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50529792
PNG
(CHEMBL4535889)
Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12
Show InChI InChI=1S/C31H31N9O/c1-19-14-22(10-11-24(19)25-18-34-28(35-21-8-9-21)29-33-12-13-39(25)29)36-30(41)37-27-16-26(31(2,3)4)38-40(27)23-7-5-6-20(15-23)17-32/h5-7,10-16,18,21H,8-9H2,1-4H3,(H,34,35)(H2,36,37,41)
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n/an/a 41n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1


(Homo sapiens (Human))		BDBM50529792
PNG
(CHEMBL4535889)
Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12
Show InChI InChI=1S/C31H31N9O/c1-19-14-22(10-11-24(19)25-18-34-28(35-21-8-9-21)29-33-12-13-39(25)29)36-30(41)37-27-16-26(31(2,3)4)38-40(27)23-7-5-6-20(15-23)17-32/h5-7,10-16,18,21H,8-9H2,1-4H3,(H,34,35)(H2,36,37,41)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50518408
PNG
(CHEMBL4483816)
Show SMILES Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Show InChI InChI=1S/C22H19N7OS/c1-12-5-3-6-14(26-12)9-29-17-8-4-7-16(18(17)13(2)28-29)27-22(30)15-10-31-20-19(15)24-11-25-21(20)23/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H2,23,24,25)
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n/an/a 64n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DDR2 (467 to end residues) expressed in baculovirus infected Sf21 insect cells using Axltide a...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50518408
PNG
(CHEMBL4483816)
Show SMILES Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Show InChI InChI=1S/C22H19N7OS/c1-12-5-3-6-14(26-12)9-29-17-8-4-7-16(18(17)13(2)28-29)27-22(30)15-10-31-20-19(15)24-11-25-21(20)23/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H2,23,24,25)
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n/an/a 80n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged c-RAF Y340D/Y341D double mutant (306 to 648 residues) expressed in baculovirus infected Sf21 in...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50518408
PNG
(CHEMBL4483816)
Show SMILES Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Show InChI InChI=1S/C22H19N7OS/c1-12-5-3-6-14(26-12)9-29-17-8-4-7-16(18(17)13(2)28-29)27-22(30)15-10-31-20-19(15)24-11-25-21(20)23/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H2,23,24,25)
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n/an/a 145n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged FGFR1 (456 to 765 residues) expressed in baculovirus infected Sf21 insect cells using IGF-IRtid...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))		BDBM50187115
PNG
(CHEMBL3822835)
Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1Oc1ccncc1
Show InChI InChI=1S/C27H26N6O2/c1-18-14-20(8-9-23(18)35-22-10-12-29-13-11-22)30-26(34)31-25-16-24(27(2,3)4)32-33(25)21-7-5-6-19(15-21)17-28/h5-16H,1-4H3,(H2,30,31,34)
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n/an/a 156n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))		BDBM50187115
PNG
(CHEMBL3822835)
Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1Oc1ccncc1
Show InChI InChI=1S/C27H26N6O2/c1-18-14-20(8-9-23(18)35-22-10-12-29-13-11-22)30-26(34)31-25-16-24(27(2,3)4)32-33(25)21-7-5-6-19(15-21)17-28/h5-16H,1-4H3,(H2,30,31,34)
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n/an/a 156n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)

Eur J Med Chem 163: 660-670 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.025
BindingDB Entry DOI: 10.7270/Q2280C2F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50584428
PNG
(CHEMBL5082952)
Show SMILES [H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cc(OCC(C)C)cc(OCC(C)C)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
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TBA

Assay Description
Inhibition of Plk1-PBD in HEK293A cells expressing HA-EGFP-Plk1 using 3,3',5,5'-tetramethylbenzidine substrate solution as substrate by ELISA

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01359
BindingDB Entry DOI: 10.7270/Q2474FSG
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM50518408
PNG
(CHEMBL4483816)
Show SMILES Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Show InChI InChI=1S/C22H19N7OS/c1-12-5-3-6-14(26-12)9-29-17-8-4-7-16(18(17)13(2)28-29)27-22(30)15-10-31-20-19(15)24-11-25-21(20)23/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H2,23,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged Tie2 (771 to end residues) expressed in baculovirus infected Sf21 insect cells using Poly (Glu...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50518404
PNG
(CHEMBL4455896)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12
Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)
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n/an/a<250n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))		BDBM50518408
PNG
(CHEMBL4483816)
Show SMILES Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Show InChI InChI=1S/C22H19N7OS/c1-12-5-3-6-14(26-12)9-29-17-8-4-7-16(18(17)13(2)28-29)27-22(30)15-10-31-20-19(15)24-11-25-21(20)23/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H2,23,24,25)
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Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged MELK (1 to 340 residues) expressed in baculovirus infected Sf21 insect cells using KKLNRTLSFAEP...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50518404
PNG
(CHEMBL4455896)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12
Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)
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n/an/a 310n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM106673
PNG
(US8586580, 1)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1
Show InChI InChI=1S/C24H27N7O2S2/c1-3-30-9-11-31(12-10-30)22-8-7-19(14-25-22)27-24-26-15-21-23(28-24)20(16-34-21)17-5-4-6-18(13-17)29-35(2,32)33/h4-8,13-16,29H,3,9-12H2,1-2H3,(H,26,27,28)
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n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).

US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM106676
PNG
(US8586580, 13)
Show SMILES CN(C)CCOc1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1
Show InChI InChI=1S/C22H24N6O3S2/c1-28(2)9-10-31-20-8-7-17(12-23-20)25-22-24-13-19-21(26-22)18(14-32-19)15-5-4-6-16(11-15)27-33(3,29)30/h4-8,11-14,27H,9-10H2,1-3H3,(H,24,25,26)
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n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).

US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM106677
PNG
(US8586580, 25)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(c4)C(=O)NC4CC4)c3n2)cn1
Show InChI InChI=1S/C27H29N7OS/c1-2-33-10-12-34(13-11-33)24-9-8-21(15-28-24)31-27-29-16-23-25(32-27)22(17-36-23)18-4-3-5-19(14-18)26(35)30-20-6-7-20/h3-5,8-9,14-17,20H,2,6-7,10-13H2,1H3,(H,30,35)(H,29,31,32)
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n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).

US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM106679
PNG
(US8586580, 27)
Show SMILES O=C(NC1CC1)c1cccc(c1)-c1csc2cnc(Nc3ccc(nc3)N3CCOCC3)nc12
Show InChI InChI=1S/C25H24N6O2S/c32-24(28-18-4-5-18)17-3-1-2-16(12-17)20-15-34-21-14-27-25(30-23(20)21)29-19-6-7-22(26-13-19)31-8-10-33-11-9-31/h1-3,6-7,12-15,18H,4-5,8-11H2,(H,28,32)(H,27,29,30)
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n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).

US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM106680
PNG
(US8586580, 30)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cnc5ccccc5c4)c3n2)cn1
Show InChI InChI=1S/C26H25N7S/c1-2-32-9-11-33(12-10-32)24-8-7-20(15-28-24)30-26-29-16-23-25(31-26)21(17-34-23)19-13-18-5-3-4-6-22(18)27-14-19/h3-8,13-17H,2,9-12H2,1H3,(H,29,30,31)
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n/an/a<500n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).

US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50584427
PNG
(CHEMBL5083531)
Show SMILES [H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cc(OCCN(C)C)cc(OCC(C)C)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plk1-PBD in HEK293A cells expressing HA-EGFP-Plk1 using 3,3',5,5'-tetramethylbenzidine substrate solution as substrate by ELISA

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01359
BindingDB Entry DOI: 10.7270/Q2474FSG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50518408
PNG
(CHEMBL4483816)
Show SMILES Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Show InChI InChI=1S/C22H19N7OS/c1-12-5-3-6-14(26-12)9-29-17-8-4-7-16(18(17)13(2)28-29)27-22(30)15-10-31-20-19(15)24-11-25-21(20)23/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H2,23,24,25)
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n/an/a 527n/an/an/an/an/an/a



Chung-Ang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells using MBP as sub...

Bioorg Med Chem Lett 29: 271-275 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.037
BindingDB Entry DOI: 10.7270/Q2QJ7MN8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50584426
PNG
(CHEMBL5089536)
Show SMILES [H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cccc(OCC(C)C)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
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n/an/a 640n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plk1-PBD in HEK293A cells expressing HA-EGFP-Plk1 using 3,3',5,5'-tetramethylbenzidine substrate solution as substrate by ELISA

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01359
BindingDB Entry DOI: 10.7270/Q2474FSG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50584423
PNG
(CHEMBL5083550)
Show SMILES [H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
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n/an/a 680n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plk1-PBD in HEK293A cells expressing HA-EGFP-Plk1 using 3,3',5,5'-tetramethylbenzidine substrate solution as substrate by ELISA

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01359
BindingDB Entry DOI: 10.7270/Q2474FSG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))		BDBM50584431
PNG
(CHEMBL5078060)
Show SMILES [H][C@@]12CC[C@H](N1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)NCCO2)NC(=O)c1cc(OCCOCCOCCOCCOC)cc(OCCOCCOCCOCCOC)c1)[C@@H](C)OP(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
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n/an/a 830n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plk1-PBD in HEK293A cells expressing HA-EGFP-Plk1 using 3,3',5,5'-tetramethylbenzidine substrate solution as substrate by ELISA

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01359
BindingDB Entry DOI: 10.7270/Q2474FSG
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM106674
PNG
(US8586580, 11)
Show SMILES Cc1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1
Show InChI InChI=1S/C19H17N5O2S2/c1-12-6-7-15(9-20-12)22-19-21-10-17-18(23-19)16(11-27-17)13-4-3-5-14(8-13)24-28(2,25)26/h3-11,24H,1-2H3,(H,21,22,23)
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).

US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM106675
PNG
(US8586580, 12)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1csc2cnc(Nc3ccc(nc3)N3CCOCC3)nc12
Show InChI InChI=1S/C22H22N6O3S2/c1-33(29,30)27-16-4-2-3-15(11-16)18-14-32-19-13-24-22(26-21(18)19)25-17-5-6-20(23-12-17)28-7-9-31-10-8-28/h2-6,11-14,27H,7-10H2,1H3,(H,24,25,26)
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n/an/a<1.00E+3n/an/an/an/a7.5n/a



Korea Institute of Science and Technology

US Patent


Assay Description
FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).

US Patent US8586580 (2013)


BindingDB Entry DOI: 10.7270/Q2BP01FV
More data for this
Ligand-Target Pair
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