Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'capuzzi' and Initial = 'sj'   

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
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50524284 (CHEMBL4443342) Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50537138 (CHEMBL4531690) Show SMILES Clc1cc2OCCOCCNc3ccn4ncc(-c(c1)c2)c4n3 Show InChI InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50537139 (CHEMBL4535001) Show SMILES Cc1[nH]nc(Nc2ncnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C19H25N5O4S/c1-11-12(2)23-24-17(11)22-18-13-8-16(29(26,27)19(3,4)5)15(28-7-6-25)9-14(13)20-10-21-18/h8-10,25H,6-7H2,1-5H3,(H2,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50184765 (CHEMBL3823499) Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50524287 (CHEMBL4462395) Show SMILES COc1cc(cc(OC)c1OC)N(C)c1ccnc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C20H19F3N2O3/c1-25(13-10-17(26-2)19(28-4)18(11-13)27-3)16-7-8-24-15-6-5-12(9-14(15)16)20(21,22)23/h5-11H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50516677 (CHEMBL4514780) Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50524287 (CHEMBL4462395) Show SMILES COc1cc(cc(OC)c1OC)N(C)c1ccnc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C20H19F3N2O3/c1-25(13-10-17(26-2)19(28-4)18(11-13)27-3)16-7-8-24-15-6-5-12(9-14(15)16)20(21,22)23/h5-11H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged STK16 (unknown origin) (13 to 305 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50524288 (CHEMBL4518437) Show SMILES COc1cc(Nc2cc(C)nc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50524284 (CHEMBL4443342) Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged STK16 (unknown origin) (13 to 305 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50524284 (CHEMBL4443342) Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged AAK1 (unknown origin) (31 to 396 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50524287 (CHEMBL4462395) Show SMILES COc1cc(cc(OC)c1OC)N(C)c1ccnc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C20H19F3N2O3/c1-25(13-10-17(26-2)19(28-4)18(11-13)27-3)16-7-8-24-15-6-5-12(9-14(15)16)20(21,22)23/h5-11H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged AAK1 (unknown origin) (31 to 396 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50524287 (CHEMBL4462395) Show SMILES COc1cc(cc(OC)c1OC)N(C)c1ccnc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C20H19F3N2O3/c1-25(13-10-17(26-2)19(28-4)18(11-13)27-3)16-7-8-24-15-6-5-12(9-14(15)16)20(21,22)23/h5-11H,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged BMP2K (unknown origin) (38 to 345 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50524288 (CHEMBL4518437) Show SMILES COc1cc(Nc2cc(C)nc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged AAK1 (unknown origin) (31 to 396 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 16 (Homo sapiens (Human))	BDBM50524288 (CHEMBL4518437) Show SMILES COc1cc(Nc2cc(C)nc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged STK16 (unknown origin) (13 to 305 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50524284 (CHEMBL4443342) Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged BMP2K (unknown origin) (38 to 345 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
BMP-2-inducible protein kinase (Homo sapiens (Human))	BDBM50524288 (CHEMBL4518437) Show SMILES COc1cc(Nc2cc(C)nc3ccc(cc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C20H19F3N2O3/c1-11-7-16(14-8-12(20(21,22)23)5-6-15(14)24-11)25-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,1-4H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged BMP2K (unknown origin) (38 to 345 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50537138 (CHEMBL4531690) Show SMILES Clc1cc2OCCOCCNc3ccn4ncc(-c(c1)c2)c4n3 Show InChI InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Displacement of fluorescent tracer from N-terminus of human RIPK2 expressed in HEK293T cells after 2 hrs by NanoBRET target engagement assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50537138 (CHEMBL4531690) Show SMILES Clc1cc2OCCOCCNc3ccn4ncc(-c(c1)c2)c4n3 Show InChI InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Displacement of fluorescent tracer from N-terminus of human GAK expressed in HEK293T cells after 2 hrs by NanoBRET target engagement assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50337136 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-32-13-11-18(12-14-32)29-25(35)17-9-10-20(23(15-17)37-4)30-27-28-16-22-24(31-27)33(2)21-8-6-5-7-19(21)26(36)34(22)3/h5-10,15-16,18H,11-14H2,1-4H3,(H,29,35)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50516677 (CHEMBL4514780) Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Displacement of fluorescent tracer from N-terminus of human RIPK2 expressed in HEK293T cells after 2 hrs by NanoBRET target engagement assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539946 (CHEMBL4643632) Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C28H33N7O3/c1-5-35-23-17-29-28(32-25(23)34(3)22-9-7-6-8-20(22)27(35)37)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h6-11,16-17,19H,5,12-15H2,1-4H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539936 (CHEMBL4646447) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(NS(C)(=O)=O)cc3)nc12 Show InChI InChI=1S/C20H20N6O3S/c1-25-16-7-5-4-6-15(16)19(27)26(2)17-12-21-20(23-18(17)25)22-13-8-10-14(11-9-13)24-30(3,28)29/h4-12,24H,1-3H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539943 (CHEMBL4634326) Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C26H31N7O2/c1-5-33-22-17-27-26(29-24(22)31(3)21-9-7-6-8-19(21)25(33)34)28-20-11-10-18(16-23(20)35-4)32-14-12-30(2)13-15-32/h6-11,16-17H,5,12-15H2,1-4H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539937 (CHEMBL4636475) Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1 Show InChI InChI=1S/C21H22N6O4S/c1-26-16-8-6-5-7-14(16)20(28)27(2)17-12-22-21(24-19(17)26)23-15-10-9-13(11-18(15)31-3)25-32(4,29)30/h5-12,25H,1-4H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539941 (CHEMBL4645267) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(Cc3ccccc3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33N7O2/c1-35-15-17-37(18-16-35)23-13-14-25(28(19-23)40-3)33-31-32-20-27-29(34-31)38(21-22-9-5-4-6-10-22)26-12-8-7-11-24(26)30(39)36(27)2/h4-14,19-20H,15-18,21H2,1-3H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50539938 (CHEMBL4647792) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCN(CC1)C1CCN(C)CC1 Show InChI InChI=1S/C31H38N8O3/c1-35-13-11-22(12-14-35)38-15-17-39(18-16-38)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50539937 (CHEMBL4636475) Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1 Show InChI InChI=1S/C21H22N6O4S/c1-26-16-8-6-5-7-14(16)20(28)27(2)17-12-22-21(24-19(17)26)23-15-10-9-13(11-18(15)31-3)25-32(4,29)30/h5-12,25H,1-4H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50193017 (CHEMBL3904942 | US11155556, No. 17) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cccc(c3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C19H18N6O3S/c1-24-15-9-4-3-8-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-6-5-7-13(10-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50337135 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C19H18N6O3S/c1-24-15-6-4-3-5-14(15)18(26)25(2)16-11-21-19(23-17(16)24)22-12-7-9-13(10-8-12)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50337136 (4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-32-13-11-18(12-14-32)29-25(35)17-9-10-20(23(15-17)37-4)30-27-28-16-22-24(31-27)33(2)21-8-6-5-7-19(21)26(36)34(22)3/h5-10,15-16,18H,11-14H2,1-4H3,(H,29,35)(H,28,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50516677 (CHEMBL4514780) Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Displacement of fluorescent tracer from N-terminus of human GAK expressed in HEK293T cells after 2 hrs by NanoBRET target engagement assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539947 (CHEMBL4640016) Show SMILES COc1cc(ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C28H30F3N7O3/c1-36-12-10-18(11-13-36)33-25(39)17-8-9-20(23(14-17)41-3)34-27-32-15-22-24(35-27)37(2)21-7-5-4-6-19(21)26(40)38(22)16-28(29,30)31/h4-9,14-15,18H,10-13,16H2,1-3H3,(H,33,39)(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50337127 (2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50337129 (2-((2-methoxy-4-morpholinophenyl)amino)-5,11-dimet...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCOCC1 Show InChI InChI=1S/C24H26N6O3/c1-28-19-7-5-4-6-17(19)23(31)29(2)20-15-25-24(27-22(20)28)26-18-9-8-16(14-21(18)32-3)30-10-12-33-13-11-30/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539940 (CHEMBL4636072) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCC3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N7O2/c1-32-13-15-34(16-14-32)20-11-12-22(25(17-20)37-3)30-28-29-18-24-26(31-28)35(19-7-6-8-19)23-10-5-4-9-21(23)27(36)33(24)2/h4-5,9-12,17-19H,6-8,13-16H2,1-3H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50337128 (2-((4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl)am...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C25H28N6O3/c1-29-20-7-5-4-6-18(20)24(33)30(2)21-15-26-25(28-23(21)29)27-19-9-8-16(14-22(19)34-3)31-12-10-17(32)11-13-31/h4-9,14-15,17,32H,10-13H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50539946 (CHEMBL4643632) Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C28H33N7O3/c1-5-35-23-17-29-28(32-25(23)34(3)22-9-7-6-8-20(22)27(35)37)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h6-11,16-17,19H,5,12-15H2,1-4H3,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50539933 (CHEMBL4648454) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(CC1)C1CCN(C)CC1 Show InChI InChI=1S/C30H38N8O2/c1-34-13-11-21(12-14-34)37-15-17-38(18-16-37)22-9-10-24(27(19-22)40-4)32-30-31-20-26-28(33-30)35(2)25-8-6-5-7-23(25)29(39)36(26)3/h5-10,19-21H,11-18H2,1-4H3,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539944 (CHEMBL4639395) Show SMILES COc1cc(ccc1Nc1ncc2N(CC(F)(F)F)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H28F3N7O2/c1-33-10-12-35(13-11-33)17-8-9-19(22(14-17)38-3)31-25-30-15-21-23(32-25)34(2)20-7-5-4-6-18(20)24(37)36(21)16-26(27,28)29/h4-9,14-15H,10-13,16H2,1-3H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50434070 (CHEMBL2381340) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50337130 (2-((2-methoxy-4-(piperazin-1-yl)phenyl)amino)-5,11...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCNCC1 Show InChI InChI=1S/C24H27N7O2/c1-29-19-7-5-4-6-17(19)23(32)30(2)20-15-26-24(28-22(20)29)27-18-9-8-16(14-21(18)33-3)31-12-10-25-11-13-31/h4-9,14-15,25H,10-13H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50539949 (CHEMBL4644273) Show SMILES CCN1c2cnc(Nc3ccc(NS(C)(=O)=O)cc3OC)nc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C22H24N6O4S/c1-5-28-18-13-23-22(24-16-11-10-14(12-19(16)32-3)26-33(4,30)31)25-20(18)27(2)17-9-7-6-8-15(17)21(28)29/h6-13,26H,5H2,1-4H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50337141 (11-cyclopentyl-2-((2-methoxy-4-(4-methylpiperazin-...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C29H35N7O2/c1-33-14-16-35(17-15-33)21-12-13-23(26(18-21)38-3)31-29-30-19-25-27(32-29)36(20-8-4-5-9-20)24-11-7-6-10-22(24)28(37)34(25)2/h6-7,10-13,18-20H,4-5,8-9,14-17H2,1-3H3,(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50337127 (2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM81552 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50337129 (2-((2-methoxy-4-morpholinophenyl)amino)-5,11-dimet...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCOCC1 Show InChI InChI=1S/C24H26N6O3/c1-28-19-7-5-4-6-17(19)23(31)29(2)20-15-25-24(27-22(20)28)26-18-9-8-16(14-21(18)32-3)30-10-12-33-13-11-30/h4-9,14-15H,10-13H2,1-3H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539939 (CHEMBL4648947) Show SMILES CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12 Show InChI InChI=1S/C28H35N7O2/c1-6-19(2)35-23-10-8-7-9-21(23)27(36)33(4)24-18-29-28(31-26(24)35)30-22-12-11-20(17-25(22)37-5)34-15-13-32(3)14-16-34/h7-12,17-19H,6,13-16H2,1-5H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50539934 (CHEMBL4634025) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3C)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O2/c1-16-14-17(31-12-10-18(32)11-13-31)8-9-20(16)27-25-26-15-22-23(28-25)29(2)21-7-5-4-6-19(21)24(33)30(22)3/h4-9,14-15,18,32H,10-13H2,1-3H3,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539949 (CHEMBL4644273) Show SMILES CCN1c2cnc(Nc3ccc(NS(C)(=O)=O)cc3OC)nc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C22H24N6O4S/c1-5-28-18-13-23-22(24-16-11-10-14(12-19(16)32-3)26-33(4,30)31)25-20(18)27(2)17-9-7-6-8-15(17)21(28)29/h6-13,26H,5H2,1-4H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase DCLK1 (Homo sapiens (Human))	BDBM50539934 (CHEMBL4634025) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3C)N3CCC(O)CC3)nc12 Show InChI InChI=1S/C25H28N6O2/c1-16-14-17(31-12-10-18(32)11-13-31)8-9-20(16)27-25-26-15-22-23(28-25)29(2)21-7-5-4-6-19(21)24(33)30(22)3/h4-9,14-15,18,32H,10-13H2,1-3H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...				J Med Chem 63: 7817-7826 (2020) Article DOI: 10.1021/acs.jmedchem.0c00596 BindingDB Entry DOI: 10.7270/Q2SB4981
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 174 total )  |  Next  |  Last  >>

Jump to: