Compile Data Set for Download or QSAR

Found 277 hits with Last Name = 'kikkawa' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575344 (CHEMBL4854822) Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575348 (CHEMBL4853155) Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;33.15,-17.31,;32.66,-15.85,;33.69,-14.69,;33.2,-13.23,;35.2,-15.01,;36.22,-13.86,;35.68,-16.47,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575350 (CHEMBL4877264) Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;33.15,-17.31,;32.66,-15.85,;33.69,-14.69,;33.2,-13.23,;35.2,-15.01,;36.22,-13.86,;35.68,-16.47,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50538514 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RET (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferati...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575345 (CHEMBL4848347) Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 |r,wU:11.14,9.9,(15.86,-22.2,;17.36,-21.88,;18.39,-23.03,;17.84,-20.42,;16.81,-19.27,;17.28,-17.81,;18.79,-17.49,;19.83,-18.62,;19.35,-20.09,;19.26,-16.03,;18.55,-14.66,;19.92,-13.95,;20.63,-15.32,;20.39,-12.48,;19.48,-11.24,;20.38,-9.99,;19.9,-8.53,;18.4,-8.22,;17.91,-6.76,;18.94,-5.61,;20.45,-5.92,;21.48,-4.77,;20.93,-7.38,;21.85,-10.46,;23.18,-9.68,;23.18,-8.14,;24.52,-10.45,;24.52,-12,;23.19,-12.77,;21.85,-12,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Coiled-coil domain-containing protein 6 (Homo sapiens (Human))	BDBM50538514 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50538508 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50538508 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50538517 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KIF5B-RET fusion protein (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hr...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM50538508 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575347 (CHEMBL4855562) Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;35.68,-16.47,;35.2,-15.01,;33.69,-14.69,;33.2,-13.23,;32.66,-15.85,;33.15,-17.31,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50538509 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575343 (CHEMBL4858720) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KIF5B-RET fusion protein (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hr...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575351 (CHEMBL4874648) Show SMILES COC(=O)N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 |r,wU:8.11,5.4,(7.07,-20.4,;8.57,-20.08,;9.05,-18.61,;10.56,-18.29,;8.02,-17.47,;8.49,-16,;7.46,-14.86,;7.94,-13.4,;9.44,-13.07,;10.48,-14.21,;10,-15.68,;9.91,-11.61,;9,-10.37,;9.9,-9.12,;9.42,-7.66,;7.91,-7.35,;7.43,-5.89,;8.45,-4.74,;7.97,-3.27,;9.96,-5.05,;10.99,-3.9,;10.44,-6.51,;11.36,-9.59,;12.7,-8.81,;12.69,-7.27,;14.03,-9.58,;14.04,-11.13,;12.7,-11.9,;11.37,-11.13,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KIF5B-RET fusion protein (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hr...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Coiled-coil domain-containing protein 6 (Homo sapiens (Human))	BDBM50538516 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/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 (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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/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
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575352 (CHEMBL4857808) Show SMILES COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KIF5B-RET fusion protein (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hr...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50538508 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575353 (CHEMBL4859681) Show SMILES COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KIF5B-RET fusion protein (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hr...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50538508 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/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
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM50575343 (CHEMBL4858720) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FGFR2 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell prolifera...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50538512 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Coiled-coil domain-containing protein 6 (Homo sapiens (Human))	BDBM50575351 (CHEMBL4874648) Show SMILES COC(=O)N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 |r,wU:8.11,5.4,(7.07,-20.4,;8.57,-20.08,;9.05,-18.61,;10.56,-18.29,;8.02,-17.47,;8.49,-16,;7.46,-14.86,;7.94,-13.4,;9.44,-13.07,;10.48,-14.21,;10,-15.68,;9.91,-11.61,;9,-10.37,;9.9,-9.12,;9.42,-7.66,;7.91,-7.35,;7.43,-5.89,;8.45,-4.74,;7.97,-3.27,;9.96,-5.05,;10.99,-3.9,;10.44,-6.51,;11.36,-9.59,;12.7,-8.81,;12.69,-7.27,;14.03,-9.58,;14.04,-11.13,;12.7,-11.9,;11.37,-11.13,)| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CCDC6-RET fusion protein (unknown origin) expressed in human LC-2-ad cells assessed as reduction in cell proliferation incubated for 6 ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 4 (Homo sapiens (Human))	BDBM50538508 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/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
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROS (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferati...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50575343 (CHEMBL4858720) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KIT (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferati...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KIT (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferati...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50575343 (CHEMBL4858720) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BCR-ABL (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell prolife...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575350 (CHEMBL4877264) Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;33.15,-17.31,;32.66,-15.85,;33.69,-14.69,;33.2,-13.23,;35.2,-15.01,;36.22,-13.86,;35.68,-16.47,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KIF5B-RET fusion protein (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hr...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coiled-coil domain-containing protein 6 (Homo sapiens (Human))	BDBM50575350 (CHEMBL4877264) Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;33.15,-17.31,;32.66,-15.85,;33.69,-14.69,;33.2,-13.23,;35.2,-15.01,;36.22,-13.86,;35.68,-16.47,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CCDC6-RET fusion protein (unknown origin) expressed in human LC-2-ad cells assessed as reduction in cell proliferation incubated for 6 ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Coiled-coil domain-containing protein 6 (Homo sapiens (Human))	BDBM50575353 (CHEMBL4859681) Show SMILES COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CCDC6-RET fusion protein (unknown origin) expressed in human LC-2-ad cells assessed as reduction in cell proliferation incubated for 6 ...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50575343 (CHEMBL4858720) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of RET (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferati...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Coiled-coil domain-containing protein 6 (Homo sapiens (Human))	BDBM50538512 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BCR-ABL (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell prolife...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KDR (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferati...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LCK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferati...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50575343 (CHEMBL4858720) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SRC (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferati...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00450 BindingDB Entry DOI: 10.7270/Q23R0XP8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50538508 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/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

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