Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50007262   

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))	BDBM50507720 (CHEMBL4463819) Show SMILES COC(=O)c1ccc(cc1)-c1snc2cc(cnc12)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H18N2O4S/c1-26-18-9-8-15(11-19(18)27-2)16-10-17-20(23-12-16)21(29-24-17)13-4-6-14(7-5-13)22(25)28-3/h4-12H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507721 (CHEMBL4454241) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)C#CC(C)C Show InChI InChI=1S/C19H18N2O2S/c1-12(2)5-8-18-19-15(21-24-18)9-14(11-20-19)13-6-7-16(22-3)17(10-13)23-4/h6-7,9-12H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507722 (CHEMBL4517342) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)C#Cc1ccccc1 Show InChI InChI=1S/C22H16N2O2S/c1-25-19-10-9-16(13-20(19)26-2)17-12-18-22(23-14-17)21(27-24-18)11-8-15-6-4-3-5-7-15/h3-7,9-10,12-14H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507723 (CHEMBL4461988) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C21H15N3O2S/c1-25-18-8-7-15(10-19(18)26-2)16-9-17-20(23-12-16)21(27-24-17)14-5-3-13(11-22)4-6-14/h3-10,12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507724 (CHEMBL4529993) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)-c1cccc(C)c1 Show InChI InChI=1S/C21H18N2O2S/c1-13-5-4-6-15(9-13)21-20-17(23-26-21)10-16(12-22-20)14-7-8-18(24-2)19(11-14)25-3/h4-12H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507725 (CHEMBL4576567) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O2S/c1-23-17-9-8-14(11-18(17)24-2)15-10-16-19(21-12-15)20(25-22-16)13-6-4-3-5-7-13/h3-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507731 (CHEMBL4558505) Show SMILES COc1ccc(cc1OC)-c1snc2cc(cnc12)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H20N2O4S/c1-25-17-7-5-13(10-19(17)27-3)15-9-16-21(23-12-15)22(29-24-16)14-6-8-18(26-2)20(11-14)28-4/h5-12H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507726 (CHEMBL4522263) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)C#Cc1cccnc1 Show InChI InChI=1S/C21H15N3O2S/c1-25-18-7-6-15(11-19(18)26-2)16-10-17-21(23-13-16)20(27-24-17)8-5-14-4-3-9-22-12-14/h3-4,6-7,9-13H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507727 (CHEMBL4525511) Show SMILES COc1ccc(cc1OC)-c1cnc2c(CCc3ccccc3)snc2c1 Show InChI InChI=1S/C22H20N2O2S/c1-25-19-10-9-16(13-20(19)26-2)17-12-18-22(23-14-17)21(27-24-18)11-8-15-6-4-3-5-7-15/h3-7,9-10,12-14H,8,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507728 (CHEMBL4451350) Show SMILES COc1ccc(cc1OC)-c1cnc2c(\C=C\c3ccccc3)snc2c1 Show InChI InChI=1S/C22H18N2O2S/c1-25-19-10-9-16(13-20(19)26-2)17-12-18-22(23-14-17)21(27-24-18)11-8-15-6-4-3-5-7-15/h3-14H,1-2H3/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507729 (CHEMBL4574041) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)-c1ccncc1 Show InChI InChI=1S/C19H15N3O2S/c1-23-16-4-3-13(10-17(16)24-2)14-9-15-18(21-11-14)19(25-22-15)12-5-7-20-8-6-12/h3-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50507730 (CHEMBL4579614) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)-c1ccsc1 Show InChI InChI=1S/C18H14N2O2S2/c1-21-15-4-3-11(8-16(15)22-2)13-7-14-17(19-9-13)18(24-20-14)12-5-6-23-10-12/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50086260 (CHEMBL3425846) Show SMILES COc1ccc(cc1OC)-c1cnc2c(snc2c1)N1CCOCC1 Show InChI InChI=1S/C18H19N3O3S/c1-22-15-4-3-12(10-16(15)23-2)13-9-14-17(19-11-13)18(25-20-14)21-5-7-24-8-6-21/h3-4,9-11H,5-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEsc...				Eur J Med Chem 163: 256-265 (2019) Article DOI: 10.1016/j.ejmech.2018.11.065 BindingDB Entry DOI: 10.7270/Q20K2CV0
					More data for this Ligand-Target Pair