Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 5772   

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
Hexokinase-4 (Homo sapiens (Human))	BDBM93225 (Kinase inhibitor, A2) Show SMILES Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)| Show InChI InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM93229 (Kinase inhibitor, F3) Show SMILES Fc1ccccc1-c1cc(=O)n2cc[nH]c2n1 Show InChI InChI=1S/C12H8FN3O/c13-9-4-2-1-3-8(9)10-7-11(17)16-6-5-14-12(16)15-10/h1-7H,(H,14,15)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM93224 (Kinase inhibitor, A1) Show SMILES CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1N Show InChI InChI=1S/C14H18N4O2/c1-9-7-17(8-10(2)20-9)13-12(15)14(19)18-6-4-3-5-11(18)16-13/h3-6,9-10H,7-8,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 3 (Homo sapiens (Human))	BDBM93224 (Kinase inhibitor, A1) Show SMILES CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1N Show InChI InChI=1S/C14H18N4O2/c1-9-7-17(8-10(2)20-9)13-12(15)14(19)18-6-4-3-5-11(18)16-13/h3-6,9-10H,7-8,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM93229 (Kinase inhibitor, F3) Show SMILES Fc1ccccc1-c1cc(=O)n2cc[nH]c2n1 Show InChI InChI=1S/C12H8FN3O/c13-9-4-2-1-3-8(9)10-7-11(17)16-6-5-14-12(16)15-10/h1-7H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM93225 (Kinase inhibitor, A2) Show SMILES Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)| Show InChI InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM93227 (Kinase inhibitor, C2) Show SMILES COc1ccc(cc1OC)-c1cc2c(nc[nH]c2=O)s1 Show InChI InChI=1S/C14H12N2O3S/c1-18-10-4-3-8(5-11(10)19-2)12-6-9-13(17)15-7-16-14(9)20-12/h3-7H,1-2H3,(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM93225 (Kinase inhibitor, A2) Show SMILES Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)| Show InChI InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM93225 (Kinase inhibitor, A2) Show SMILES Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)| Show InChI InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM93225 (Kinase inhibitor, A2) Show SMILES Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)| Show InChI InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM93224 (Kinase inhibitor, A1) Show SMILES CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1N Show InChI InChI=1S/C14H18N4O2/c1-9-7-17(8-10(2)20-9)13-12(15)14(19)18-6-4-3-5-11(18)16-13/h3-6,9-10H,7-8,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM93227 (Kinase inhibitor, C2) Show SMILES COc1ccc(cc1OC)-c1cc2c(nc[nH]c2=O)s1 Show InChI InChI=1S/C14H12N2O3S/c1-18-10-4-3-8(5-11(10)19-2)12-6-9-13(17)15-7-16-14(9)20-12/h3-7H,1-2H3,(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM93224 (Kinase inhibitor, A1) Show SMILES CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1N Show InChI InChI=1S/C14H18N4O2/c1-9-7-17(8-10(2)20-9)13-12(15)14(19)18-6-4-3-5-11(18)16-13/h3-6,9-10H,7-8,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM93225 (Kinase inhibitor, A2) Show SMILES Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)| Show InChI InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Ephrin type-B receptor 3 (Homo sapiens (Human))	BDBM93228 (Kinase inhibitor, D1) Show SMILES CC(C)(C)Nc1c([nH]c2ncnn12)C1CC1 Show InChI InChI=1S/C11H17N5/c1-11(2,3)15-9-8(7-4-5-7)14-10-12-6-13-16(9)10/h6-7,15H,4-5H2,1-3H3,(H,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM93225 (Kinase inhibitor, A2) Show SMILES Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)| Show InChI InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM93224 (Kinase inhibitor, A1) Show SMILES CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1N Show InChI InChI=1S/C14H18N4O2/c1-9-7-17(8-10(2)20-9)13-12(15)14(19)18-6-4-3-5-11(18)16-13/h3-6,9-10H,7-8,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM93225 (Kinase inhibitor, A2) Show SMILES Nc1cnc2c(cccn2c1=O)-c1c(F)cccc1F |(-3.92,1.6,;-5.25,2.37,;-5.25,3.91,;-6.59,4.68,;-7.92,3.91,;-9.25,4.68,;-10.59,3.91,;-10.59,2.37,;-9.25,1.6,;-7.92,2.37,;-6.59,1.6,;-6.59,.06,;-9.25,6.22,;-10.59,6.99,;-11.92,6.22,;-10.59,8.53,;-9.25,9.3,;-7.92,8.53,;-7.92,6.99,;-6.59,6.22,)| Show InChI InChI=1S/C14H9F2N3O/c15-9-4-1-5-10(16)12(9)8-3-2-6-19-13(8)18-7-11(17)14(19)20/h1-7H,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM93228 (Kinase inhibitor, D1) Show SMILES CC(C)(C)Nc1c([nH]c2ncnn12)C1CC1 Show InChI InChI=1S/C11H17N5/c1-11(2,3)15-9-8(7-4-5-7)14-10-12-6-13-16(9)10/h6-7,15H,4-5H2,1-3H3,(H,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair