Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 2639   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374712 (12-chloro-11-fluoro-13-methyl-6,7-dihydro- 13H-1,1...) Show SMILES CC1Oc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H14ClFN4O3/c1-9-14-12(3-2-11(19)15(14)18)25-7-5-20-17(24)10-8-21-23-6-4-13(26-9)22-16(10)23/h2-4,6,8-9H,5,7H2,1H3,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374729 (12-fluoro-5,6,7,8,14,15-hexahydro-4H-1,16- ethenop...) Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(CCc2c1)nc34 Show InChI InChI=1S/C18H17FN4O2/c19-13-3-5-16-12(10-13)2-4-14-6-8-23-17(22-14)15(11-21-23)18(24)20-7-1-9-25-16/h3,5-6,8,10-11H,1-2,4,7,9H2,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM374712 (12-chloro-11-fluoro-13-methyl-6,7-dihydro- 13H-1,1...) Show SMILES CC1Oc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H14ClFN4O3/c1-9-14-12(3-2-11(19)15(14)18)25-7-5-20-17(24)10-8-21-23-6-4-13(26-9)22-16(10)23/h2-4,6,8-9H,5,7H2,1H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374713 (11-fluoro-14-methyl-6,7,13,14-tetrahydro- 1,15-eth...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-5-19-17(24)13-9-20-23-6-4-15(22)21-16(13)23/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0310	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM374713 (11-fluoro-14-methyl-6,7,13,14-tetrahydro- 1,15-eth...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-5-19-17(24)13-9-20-23-6-4-15(22)21-16(13)23/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM374713 (11-fluoro-14-methyl-6,7,13,14-tetrahydro- 1,15-eth...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-5-19-17(24)13-9-20-23-6-4-15(22)21-16(13)23/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM374713 (11-fluoro-14-methyl-6,7,13,14-tetrahydro- 1,15-eth...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-5-19-17(24)13-9-20-23-6-4-15(22)21-16(13)23/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374713 (11-fluoro-14-methyl-6,7,13,14-tetrahydro- 1,15-eth...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-5-19-17(24)13-9-20-23-6-4-15(22)21-16(13)23/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM374713 (11-fluoro-14-methyl-6,7,13,14-tetrahydro- 1,15-eth...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-5-19-17(24)13-9-20-23-6-4-15(22)21-16(13)23/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374713 (11-fluoro-14-methyl-6,7,13,14-tetrahydro- 1,15-eth...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-5-19-17(24)13-9-20-23-6-4-15(22)21-16(13)23/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM374713 (11-fluoro-14-methyl-6,7,13,14-tetrahydro- 1,15-eth...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-5-19-17(24)13-9-20-23-6-4-15(22)21-16(13)23/h2-4,6,8-9H,5,7,10H2,1H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374714 (12-chloro-11-fluoro-14-methyl-6,7,13,14- tetrahydr...) Show SMILES CN1Cc2c(Cl)c(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H15ClFN5O2/c1-23-9-11-13(3-2-12(19)15(11)18)26-7-5-20-17(25)10-8-21-24-6-4-14(23)22-16(10)24/h2-4,6,8H,5,7,9H2,1H3,(H,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374714 (12-chloro-11-fluoro-14-methyl-6,7,13,14- tetrahydr...) Show SMILES CN1Cc2c(Cl)c(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H15ClFN5O2/c1-23-9-11-13(3-2-12(19)15(11)18)26-7-5-20-17(25)10-8-21-24-6-4-14(23)22-16(10)24/h2-4,6,8H,5,7,9H2,1H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374714 (12-chloro-11-fluoro-14-methyl-6,7,13,14- tetrahydr...) Show SMILES CN1Cc2c(Cl)c(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H15ClFN5O2/c1-23-9-11-13(3-2-12(19)15(11)18)26-7-5-20-17(25)10-8-21-24-6-4-14(23)22-16(10)24/h2-4,6,8H,5,7,9H2,1H3,(H,20,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM374714 (12-chloro-11-fluoro-14-methyl-6,7,13,14- tetrahydr...) Show SMILES CN1Cc2c(Cl)c(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H15ClFN5O2/c1-23-9-11-13(3-2-12(19)15(11)18)26-7-5-20-17(25)10-8-21-24-6-4-14(23)22-16(10)24/h2-4,6,8H,5,7,9H2,1H3,(H,20,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374715 (11-fluoro-3,14-dimethyl-6,7,13,14-tetrahydro-1,15-...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2c(C)nn3ccc1nc23 Show InChI InChI=1S/C18H18FN5O2/c1-11-16-17-21-15(5-7-24(17)22-11)23(2)10-12-9-13(19)3-4-14(12)26-8-6-20-18(16)25/h3-5,7,9H,6,8,10H2,1-2H3,(H,20,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM374715 (11-fluoro-3,14-dimethyl-6,7,13,14-tetrahydro-1,15-...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2c(C)nn3ccc1nc23 Show InChI InChI=1S/C18H18FN5O2/c1-11-16-17-21-15(5-7-24(17)22-11)23(2)10-12-9-13(19)3-4-14(12)26-8-6-20-18(16)25/h3-5,7,9H,6,8,10H2,1-2H3,(H,20,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374716 (10-fluoro-8-methyl-15,16-dihydro-8H-3,6- ethenoimi...) Show SMILES CC1Oc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2 Show InChI InChI=1S/C17H15FN4O3/c1-10-12-8-11(18)2-3-14(12)24-7-6-19-17(23)13-9-20-15-4-5-16(25-10)21-22(13)15/h2-5,8-10H,6-7H2,1H3,(H,19,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM374716 (10-fluoro-8-methyl-15,16-dihydro-8H-3,6- ethenoimi...) Show SMILES CC1Oc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2 Show InChI InChI=1S/C17H15FN4O3/c1-10-12-8-11(18)2-3-14(12)24-7-6-19-17(23)13-9-20-15-4-5-16(25-10)21-22(13)15/h2-5,8-10H,6-7H2,1H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374716 (10-fluoro-8-methyl-15,16-dihydro-8H-3,6- ethenoimi...) Show SMILES CC1Oc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2 Show InChI InChI=1S/C17H15FN4O3/c1-10-12-8-11(18)2-3-14(12)24-7-6-19-17(23)13-9-20-15-4-5-16(25-10)21-22(13)15/h2-5,8-10H,6-7H2,1H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM374716 (10-fluoro-8-methyl-15,16-dihydro-8H-3,6- ethenoimi...) Show SMILES CC1Oc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2 Show InChI InChI=1S/C17H15FN4O3/c1-10-12-8-11(18)2-3-14(12)24-7-6-19-17(23)13-9-20-15-4-5-16(25-10)21-22(13)15/h2-5,8-10H,6-7H2,1H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374716 (10-fluoro-8-methyl-15,16-dihydro-8H-3,6- ethenoimi...) Show SMILES CC1Oc2ccc3ncc(C(=O)NCCOc4ccc(F)cc14)n3n2 Show InChI InChI=1S/C17H15FN4O3/c1-10-12-8-11(18)2-3-14(12)24-7-6-19-17(23)13-9-20-15-4-5-16(25-10)21-22(13)15/h2-5,8-10H,6-7H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374717 (10-fluoro-7-methyl-7,8,15,16-tetrahydro-3,6- ethen...) Show SMILES CN1Cc2cc(F)ccc2OCCNC(=O)c2cnc3ccc1nn23 Show InChI InChI=1S/C17H16FN5O2/c1-22-10-11-8-12(18)2-3-14(11)25-7-6-19-17(24)13-9-20-15-4-5-16(22)21-23(13)15/h2-5,8-9H,6-7,10H2,1H3,(H,19,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0880	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374718 (14-ethyl-11-fluoro-6,7,13,14-tetrahydro-1,15- ethe...) Show SMILES CCN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C18H18FN5O2/c1-2-23-11-12-9-13(19)3-4-15(12)26-8-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0860	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374718 (14-ethyl-11-fluoro-6,7,13,14-tetrahydro-1,15- ethe...) Show SMILES CCN1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C18H18FN5O2/c1-2-23-11-12-9-13(19)3-4-15(12)26-8-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374719 (11-fluoro-14-(propan-2-yl)-6,7,13,14-tetrahydro- 1...) Show SMILES CC(C)N1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C19H20FN5O2/c1-12(2)24-11-13-9-14(20)3-4-16(13)27-8-6-21-19(26)15-10-22-25-7-5-17(24)23-18(15)25/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,21,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0820	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374719 (11-fluoro-14-(propan-2-yl)-6,7,13,14-tetrahydro- 1...) Show SMILES CC(C)N1Cc2cc(F)ccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C19H20FN5O2/c1-12(2)24-11-13-9-14(20)3-4-16(13)27-8-6-21-19(26)15-10-22-25-7-5-17(24)23-18(15)25/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374720 (14-methyl-6,7,13,14-tetrahydro-1,15- ethenopyrazol...) Show SMILES CN1Cc2ccccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H17N5O2/c1-21-11-12-4-2-3-5-14(12)24-9-7-18-17(23)13-10-19-22-8-6-15(21)20-16(13)22/h2-6,8,10H,7,9,11H2,1H3,(H,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374720 (14-methyl-6,7,13,14-tetrahydro-1,15- ethenopyrazol...) Show SMILES CN1Cc2ccccc2OCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C17H17N5O2/c1-21-11-12-4-2-3-5-14(12)24-9-7-18-17(23)13-10-19-22-8-6-15(21)20-16(13)22/h2-6,8,10H,7,9,11H2,1H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374721 (11-fluoro-6,7,13,14-tetrahydro-1,15- ethenopyrazol...) Show SMILES Fc1ccc2OCCNC(=O)c3cnn4ccc(NCc2c1)nc34 Show InChI InChI=1S/C16H14FN5O2/c17-11-1-2-13-10(7-11)8-19-14-3-5-22-15(21-14)12(9-20-22)16(23)18-4-6-24-13/h1-3,5,7,9H,4,6,8H2,(H,18,23)(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374721 (11-fluoro-6,7,13,14-tetrahydro-1,15- ethenopyrazol...) Show SMILES Fc1ccc2OCCNC(=O)c3cnn4ccc(NCc2c1)nc34 Show InChI InChI=1S/C16H14FN5O2/c17-11-1-2-13-10(7-11)8-19-14-3-5-22-15(21-14)12(9-20-22)16(23)18-4-6-24-13/h1-3,5,7,9H,4,6,8H2,(H,18,23)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374722 (11-fluoro-13-methyl-6,7,13,14-tetrahydro-1,15- eth...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM374722 (11-fluoro-13-methyl-6,7,13,14-tetrahydro-1,15- eth...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374722 (11-fluoro-13-methyl-6,7,13,14-tetrahydro-1,15- eth...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM374722 (11-fluoro-13-methyl-6,7,13,14-tetrahydro-1,15- eth...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374723 ((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...) Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r| Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM374723 ((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...) Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r| Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374723 ((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...) Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r| Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM374723 ((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...) Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r| Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374723 ((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...) Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r| Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM374723 ((13R)-11-fluoro-13-methyl-6,7,13,14- tetrahydro-1,...) Show SMILES C[C@H]1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)cc14)c3n2 |r| Show InChI InChI=1S/C17H16FN5O2/c1-10-12-8-11(18)2-3-14(12)25-7-5-19-17(24)13-9-20-23-6-4-15(21-10)22-16(13)23/h2-4,6,8-10H,5,7H2,1H3,(H,19,24)(H,21,22)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374724 (12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374724 (12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM374724 (12-chloro-11-fluoro-13-methyl-6,7,13,14- tetrahydr...) Show SMILES CC1Nc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H15ClFN5O2/c1-9-14-12(3-2-11(19)15(14)18)26-7-5-20-17(25)10-8-21-24-6-4-13(22-9)23-16(10)24/h2-4,6,8-9H,5,7H2,1H3,(H,20,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM374725 (12-fluoro-15-methyl-5,6,7,8,14,15-hexahydro-4H- 1,...) Show SMILES CN1Cc2cc(F)ccc2OCCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C18H18FN5O2/c1-23-11-12-9-13(19)3-4-15(12)26-8-2-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374725 (12-fluoro-15-methyl-5,6,7,8,14,15-hexahydro-4H- 1,...) Show SMILES CN1Cc2cc(F)ccc2OCCCNC(=O)c2cnn3ccc1nc23 Show InChI InChI=1S/C18H18FN5O2/c1-23-11-12-9-13(19)3-4-15(12)26-8-2-6-20-18(25)14-10-21-24-7-5-16(23)22-17(14)24/h3-5,7,9-10H,2,6,8,11H2,1H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374726 ((7R,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374726 ((7R,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	0.0820	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM374727 ((7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrah...) Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(N[C@H](C)c4cc(F)ccc4O1)nc23 |r| Show InChI InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 54 total )  |  Next  |  Last  >>

Jump to: