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Compile Data Set for Download or QSAR

Found 138 hits Enz. Inhib. hit(s) with all data for entry = 50010404   
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
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538514
PNG
(CHEMBL4644274)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
Show InChI InChI=1S/C30H38N6O2/c1-29(2)16-21(17-30(3,4)35(29)5)33-27-25(19-11-9-8-10-12-19)26(31)36-28(34-27)22(18-32-36)20-13-14-23(37-6)24(15-20)38-7/h8-15,18,21H,16-17,31H2,1-7H3,(H,33,34)
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n/an/a 1.70n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538516
PNG
(CHEMBL4643578)
Show SMILES COC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
Show InChI InChI=1S/C35H44N8O3/c1-34(2)20-26(21-35(3,4)40(34)5)38-30-28(24-10-8-7-9-11-24)29(36)43-31(39-30)27(22-37-43)23-12-14-25(15-13-23)32(44)41-16-18-42(19-17-41)33(45)46-6/h7-15,22,26H,16-21,36H2,1-6H3,(H,38,39)
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n/an/a 3.30n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6


(Homo sapiens (Human))		BDBM50538514
PNG
(CHEMBL4644274)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
Show InChI InChI=1S/C30H38N6O2/c1-29(2)16-21(17-30(3,4)35(29)5)33-27-25(19-11-9-8-10-12-19)26(31)36-28(34-27)22(18-32-36)20-13-14-23(37-6)24(15-20)38-7/h8-15,18,21H,16-17,31H2,1-7H3,(H,33,34)
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n/an/a 5.30n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of CCDC6/RET (unknown origin) transfected in human LC2/ad cells assessed as reduction in cell viability incubated for 6 days by CellTiter ...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538515
PNG
(CHEMBL4636056)
Show SMILES [H][C@]12CN(C(=O)c3ccc(cc3)-c3cnn4c(N)c(c(NC5CC(C)(C)N(C)C(C)(C)C5)nc34)-c3ccccc3)[C@]([H])(CO1)C2 |r|
Show InChI InChI=1S/C34H41N7O2/c1-33(2)16-24(17-34(3,4)39(33)5)37-30-28(22-9-7-6-8-10-22)29(35)41-31(38-30)27(18-36-41)21-11-13-23(14-12-21)32(42)40-19-26-15-25(40)20-43-26/h6-14,18,24-26H,15-17,19-20,35H2,1-5H3,(H,37,38)/t25-,26-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6


(Homo sapiens (Human))		BDBM50538517
PNG
(CHEMBL4639022)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccc(cc1)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C34H44N8O3S/c1-33(2)20-26(21-34(3,4)39(33)5)37-30-28(24-10-8-7-9-11-24)29(35)42-31(38-30)27(22-36-42)23-12-14-25(15-13-23)32(43)40-16-18-41(19-17-40)46(6,44)45/h7-15,22,26H,16-21,35H2,1-6H3,(H,37,38)
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n/an/a 6.20n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of CCDC6/RET (unknown origin) transfected in human LC2/ad cells assessed as reduction in cell viability incubated for 6 days by CellTiter ...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538517
PNG
(CHEMBL4639022)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccc(cc1)C(=O)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C34H44N8O3S/c1-33(2)20-26(21-34(3,4)39(33)5)37-30-28(24-10-8-7-9-11-24)29(35)42-31(38-30)27(22-36-42)23-12-14-25(15-13-23)32(43)40-16-18-41(19-17-40)46(6,44)45/h7-15,22,26H,16-21,35H2,1-6H3,(H,37,38)
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The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 8n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucif...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))		BDBM50538509
PNG
(CHEMBL4636995)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H26N6O3S/c1-28-9-6-15(7-10-28)32-22-19(23-25-8-11-33-23)20(24)29-21(27-22)16(13-26-29)14-4-5-17(30-2)18(12-14)31-3/h4-5,8,11-13,15H,6-7,9-10,24H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 10n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucif...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6


(Homo sapiens (Human))		BDBM50538516
PNG
(CHEMBL4643578)
Show SMILES COC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
Show InChI InChI=1S/C35H44N8O3/c1-34(2)20-26(21-35(3,4)40(34)5)38-30-28(24-10-8-7-9-11-24)29(36)43-31(39-30)27(22-37-43)23-12-14-25(15-13-23)32(44)41-16-18-42(19-17-41)33(45)46-6/h7-15,22,26H,16-21,36H2,1-6H3,(H,38,39)
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n/an/a 15n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of CCDC6/RET (unknown origin) transfected in human LC2/ad cells assessed as reduction in cell viability incubated for 6 days by CellTiter ...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6


(Homo sapiens (Human))		BDBM50538515
PNG
(CHEMBL4636056)
Show SMILES [H][C@]12CN(C(=O)c3ccc(cc3)-c3cnn4c(N)c(c(NC5CC(C)(C)N(C)C(C)(C)C5)nc34)-c3ccccc3)[C@]([H])(CO1)C2 |r|
Show InChI InChI=1S/C34H41N7O2/c1-33(2)16-24(17-34(3,4)39(33)5)37-30-28(22-9-7-6-8-10-22)29(35)41-31(38-30)27(18-36-41)21-11-13-23(14-12-21)32(42)40-19-26-15-25(40)20-43-26/h6-14,18,24-26H,15-17,19-20,35H2,1-5H3,(H,37,38)/t25-,26-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of CCDC6/RET (unknown origin) transfected in human LC2/ad cells assessed as reduction in cell viability incubated for 6 days by CellTiter ...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 17n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 19n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET V804M mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs b...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 20n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIT (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 22n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 26n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538512
PNG
(CHEMBL4638840)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CCN(C)CC3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30)
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n/an/a 31n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 35n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of FGFR4 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucif...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 37n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50538509
PNG
(CHEMBL4636995)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H26N6O3S/c1-28-9-6-15(7-10-28)32-22-19(23-25-8-11-33-23)20(24)29-21(27-22)16(13-26-29)14-4-5-17(30-2)18(12-14)31-3/h4-5,8,11-13,15H,6-7,9-10,24H2,1-3H3
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n/an/a 41n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6


(Homo sapiens (Human))		BDBM50538512
PNG
(CHEMBL4638840)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CCN(C)CC3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H30N6O2/c1-31-13-11-19(12-14-31)29-25-23(17-7-5-4-6-8-17)24(27)32-26(30-25)20(16-28-32)18-9-10-21(33-2)22(15-18)34-3/h4-10,15-16,19H,11-14,27H2,1-3H3,(H,29,30)
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n/an/a 56n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of CCDC6/RET (unknown origin) transfected in human LC2/ad cells assessed as reduction in cell viability incubated for 6 days by CellTiter ...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538513
PNG
(CHEMBL4636800)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NCCCN(C)C)nc12)-c1ccccc1
Show InChI InChI=1S/C25H30N6O2/c1-30(2)14-8-13-27-24-22(17-9-6-5-7-10-17)23(26)31-25(29-24)19(16-28-31)18-11-12-20(32-3)21(15-18)33-4/h5-7,9-12,15-16H,8,13-14,26H2,1-4H3,(H,27,29)
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n/an/a 56n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 67n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of LYN (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538511
PNG
(CHEMBL4642409)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OCCCN(C)C)nc12
Show InChI InChI=1S/C25H29N5O3/c1-29(2)13-8-14-33-25-22(17-9-6-5-7-10-17)23(26)30-24(28-25)19(16-27-30)18-11-12-20(31-3)21(15-18)32-4/h5-7,9-12,15-16H,8,13-14,26H2,1-4H3
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n/an/a 70n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538510
PNG
(CHEMBL4640989)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCNCC3)nc12
Show InChI InChI=1S/C25H27N5O3/c1-31-20-9-8-17(14-21(20)32-2)19-15-28-30-23(26)22(16-6-4-3-5-7-16)25(29-24(19)30)33-18-10-12-27-13-11-18/h3-9,14-15,18,27H,10-13,26H2,1-2H3
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n/an/a 79n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 82n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of FMS (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 84n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucife...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 86n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of MER (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 93n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 95n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of CCDC6/RET (unknown origin) transfected in human LC2/ad cells assessed as reduction in cell viability incubated for 6 days by CellTiter ...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 98n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of FGR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538509
PNG
(CHEMBL4636995)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H26N6O3S/c1-28-9-6-15(7-10-28)32-22-19(23-25-8-11-33-23)20(24)29-21(27-22)16(13-26-29)14-4-5-17(30-2)18(12-14)31-3/h4-5,8,11-13,15H,6-7,9-10,24H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-l...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6


(Homo sapiens (Human))		BDBM50538510
PNG
(CHEMBL4640989)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCNCC3)nc12
Show InChI InChI=1S/C25H27N5O3/c1-31-20-9-8-17(14-21(20)32-2)19-15-28-30-23(26)22(16-6-4-3-5-7-16)25(29-24(19)30)33-18-10-12-27-13-11-18/h3-9,14-15,18,27H,10-13,26H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of CCDC6/RET (unknown origin) transfected in human LC2/ad cells assessed as reduction in cell viability incubated for 6 days by CellTiter ...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 170n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538509
PNG
(CHEMBL4636995)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H26N6O3S/c1-28-9-6-15(7-10-28)32-22-19(23-25-8-11-33-23)20(24)29-21(27-22)16(13-26-29)14-4-5-17(30-2)18(12-14)31-3/h4-5,8,11-13,15H,6-7,9-10,24H2,1-3H3
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n/an/a 210n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 230n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of BLK (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50538509
PNG
(CHEMBL4636995)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H26N6O3S/c1-28-9-6-15(7-10-28)32-22-19(23-25-8-11-33-23)20(24)29-21(27-22)16(13-26-29)14-4-5-17(30-2)18(12-14)31-3/h4-5,8,11-13,15H,6-7,9-10,24H2,1-3H3
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n/an/a 240n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of FMS (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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n/an/a 410n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of LYN (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 430n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucif...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))		BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
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n/an/a 440n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of FGR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50538514
PNG
(CHEMBL4644274)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
Show InChI InChI=1S/C30H38N6O2/c1-29(2)16-21(17-30(3,4)35(29)5)33-27-25(19-11-9-8-10-12-19)26(31)36-28(34-27)22(18-32-36)20-13-14-23(37-6)24(15-20)38-7/h8-15,18,21H,16-17,31H2,1-7H3,(H,33,34)
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n/an/a 500n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in human embryonic kidney cells by manual patch clamp assay

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))		BDBM50538509
PNG
(CHEMBL4636995)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H26N6O3S/c1-28-9-6-15(7-10-28)32-22-19(23-25-8-11-33-23)20(24)29-21(27-22)16(13-26-29)14-4-5-17(30-2)18(12-14)31-3/h4-5,8,11-13,15H,6-7,9-10,24H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of TRKC (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucife...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))		BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
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The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of BLK (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50538509
PNG
(CHEMBL4636995)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H26N6O3S/c1-28-9-6-15(7-10-28)32-22-19(23-25-8-11-33-23)20(24)29-21(27-22)16(13-26-29)14-4-5-17(30-2)18(12-14)31-3/h4-5,8,11-13,15H,6-7,9-10,24H2,1-3H3
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The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIF5B-RET V804M mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs b...

ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
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