Compile Data Set for Download or QSAR

Found 410 hits with Last Name = 'crean' and Initial = 'sm'   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6151 (1,6-naphthyridine 20 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C30H43N7O3/c1-30(2,3)35-29(38)34-28-25(21-15-23(39-5)18-24(16-21)40-6)17-22-20-32-27(19-26(22)33-28)31-9-7-8-10-37-13-11-36(4)12-14-37/h15-20H,7-14H2,1-6H3,(H,31,32)(H2,33,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6157 (1,6-naphthyridine 26 | 3-tert-butyl-1-(7-{[5-(diet...) Show SMILES CCN(CC)CCCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C30H44N6O3/c1-8-36(9-2)14-12-10-11-13-31-27-19-26-22(20-32-27)17-25(21-15-23(38-6)18-24(16-21)39-7)28(33-26)34-29(37)35-30(3,4)5/h15-20H,8-14H2,1-7H3,(H,31,32)(H2,33,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6148 (1,6-naphthyridine 17 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C29H41N7O3/c1-29(2,3)34-28(37)33-27-24(20-14-22(38-5)17-23(15-20)39-6)16-21-19-31-26(18-25(21)32-27)30-8-7-9-36-12-10-35(4)11-13-36/h14-19H,7-13H2,1-6H3,(H,30,31)(H2,32,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.8	22
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6178 (1,6-naphthyridine 75 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCO)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C24H31N5O4/c1-24(2,3)29-23(31)28-22-19(15-9-17(32-4)12-18(10-15)33-5)11-16-14-26-21(13-20(16)27-22)25-7-6-8-30/h9-14,30H,6-8H2,1-5H3,(H,25,26)(H2,27,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6150 (1,6-naphthyridine 19 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C29H40N6O4/c1-29(2,3)34-28(36)33-27-24(20-14-22(37-4)17-23(15-20)38-5)16-21-19-31-26(18-25(21)32-27)30-8-6-7-9-35-10-12-39-13-11-35/h14-19H,6-13H2,1-5H3,(H,30,31)(H2,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6180 (1,6-naphthyridine 77 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCO)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C26H35N5O4/c1-26(2,3)31-25(33)30-24-21(17-11-19(34-4)14-20(12-17)35-5)13-18-16-28-23(15-22(18)29-24)27-9-7-6-8-10-32/h11-16,32H,6-10H2,1-5H3,(H,27,28)(H2,29,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6154 (1,6-naphthyridine 23 | 3-tert-butyl-1-(7-{[4-(diet...) Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C29H42N6O3/c1-8-35(9-2)13-11-10-12-30-26-18-25-21(19-31-26)16-24(20-14-22(37-6)17-23(15-20)38-7)27(32-25)33-28(36)34-29(3,4)5/h14-19H,8-13H2,1-7H3,(H,30,31)(H2,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6155 (1,6-naphthyridine 24 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C30H42N6O4/c1-30(2,3)35-29(37)34-28-25(21-15-23(38-4)18-24(16-21)39-5)17-22-20-32-27(19-26(22)33-28)31-9-7-6-8-10-36-11-13-40-14-12-36/h15-20H,6-14H2,1-5H3,(H,31,32)(H2,33,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3451 (3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diet...) Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3453 (3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...) Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)Nc3ccccc3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C28H31Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h5-7,10-14,17-18H,3-4,8-9,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6179 (1,6-naphthyridine 76 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCO)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C25H33N5O4/c1-25(2,3)30-24(32)29-23-20(16-10-18(33-4)13-19(11-16)34-5)12-17-15-27-22(14-21(17)28-23)26-8-6-7-9-31/h10-15,31H,6-9H2,1-5H3,(H,26,27)(H2,28,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6156 (1,6-naphthyridine 25 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C31H45N7O3/c1-31(2,3)36-30(39)35-29-26(22-16-24(40-5)19-25(17-22)41-6)18-23-21-33-28(20-27(23)34-29)32-10-8-7-9-11-38-14-12-37(4)13-15-38/h16-21H,7-15H2,1-6H3,(H,32,33)(H2,34,35,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4618 (1,6-naphthyridine 14 | 1,6-naphthyridine deriv. 20...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C28H38N6O4/c1-28(2,3)33-27(35)32-26-23(19-13-21(36-4)16-22(14-19)37-5)15-20-18-30-25(17-24(20)31-26)29-7-6-8-34-9-11-38-12-10-34/h13-18H,6-12H2,1-5H3,(H,29,30)(H2,31,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.8	22
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3467 (3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(4-me...) Show SMILES CN1CCN(CCCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-15.76,4.51,;-14.27,4.11,;-12.91,4.83,;-11.61,4.02,;-11.66,2.48,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-13.02,1.76,;-14.33,2.57,)| Show InChI InChI=1S/C27H36Cl2N8O/c1-27(2,3)35-26(38)34-24-19(22-20(28)8-7-9-21(22)29)16-18-17-31-25(33-23(18)32-24)30-10-5-6-11-37-14-12-36(4)13-15-37/h7-9,16-17H,5-6,10-15H2,1-4H3,(H3,30,31,32,33,34,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3452 (1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[4-(diet...) Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC3CCCCC3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C28H37Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h10,13-14,17-18,20H,3-9,11-12,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6167 (1,6-naphthyridine 36 | 1-[3-(2,6-dichlorophenyl)-7...) Show SMILES CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(2.55,-3.89,;3.88,-3.12,;3.88,-1.58,;5.22,-.81,;6.55,-1.58,;5.22,.73,;3.88,1.5,;2.55,.73,;1.22,1.5,;-.12,.73,;-1.45,1.5,;-2.78,.73,;-4.27,1.13,;-5.36,.04,;-6.85,.44,;-7.94,-.65,;-9.42,-.25,;-9.82,1.24,;-11.31,1.64,;-10.51,-1.34,;-12,-.94,;-1.45,3.05,;-.12,3.82,;1.22,3.05,;2.55,3.82,;3.88,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)| Show InChI InChI=1S/C25H32Cl2N6O/c1-4-28-25(34)32-24-18(23-19(26)10-9-11-20(23)27)14-17-16-30-22(15-21(17)31-24)29-12-7-8-13-33(5-2)6-3/h9-11,14-16H,4-8,12-13H2,1-3H3,(H,29,30)(H2,28,31,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6165 (1,6-naphthyridine 34 | 3-tert-butyl-1-[3-(2,6-dich...) Show SMILES CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-11.94,-2.96,;-10.6,-2.19,;-10.6,-.65,;-9.27,.12,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,;-7.94,-2.19,;-9.27,-2.96,)| Show InChI InChI=1S/C27H35Cl2N7O/c1-27(2,3)34-26(37)33-25-19(24-20(28)7-5-8-21(24)29)15-18-17-31-23(16-22(18)32-25)30-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-17H,6,9-14H2,1-4H3,(H,30,31)(H2,32,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6168 (1,6-naphthyridine 37 | 3-tert-butyl-1-[3-(2,6-dich...) Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.31,1.64,;-9.82,1.24,;-9.42,-.25,;-10.51,-1.34,;-12,-.94,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)| Show InChI InChI=1S/C27H36Cl2N6O/c1-6-35(7-2)14-9-8-13-30-23-16-22-18(17-31-23)15-19(24-20(28)11-10-12-21(24)29)25(32-22)33-26(36)34-27(3,4)5/h10-12,15-17H,6-9,13-14H2,1-5H3,(H,30,31)(H2,32,33,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6149 (1,6-naphthyridine 18 | 3-tert-butyl-1-(7-{[3-(diet...) Show SMILES CCN(CC)CCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C28H40N6O3/c1-8-34(9-2)12-10-11-29-25-17-24-20(18-30-25)15-23(19-13-21(36-6)16-22(14-19)37-7)26(31-24)32-27(35)33-28(3,4)5/h13-18H,8-12H2,1-7H3,(H,29,30)(H2,31,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	22
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3479 (3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)| Show InChI InChI=1S/C28H30Cl2N8O/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h2-5,7-10,17-18H,6,11-16H2,1H3,(H3,31,32,33,34,35,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3485 (3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...) Show SMILES COc1ccccc1NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(33.16,-19.56,;31.67,-19.16,;30.34,-19.93,;30.29,-21.47,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-13-15-39(16-14-38)12-6-11-32-28-33-18-19-17-20(25-21(30)7-5-8-22(25)31)27(35-26(19)36-28)37-29(40)34-23-9-3-4-10-24(23)41-2/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H3,32,33,34,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3463 (3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(2-me...) Show SMILES CC1CCCCN1CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-11.91,3.7,;-11.91,2.16,;-13.24,1.39,;-13.24,-.15,;-11.91,-.92,;-10.57,-.15,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C27H35Cl2N7O/c1-17-9-5-6-13-36(17)14-8-12-30-25-31-16-18-15-19(22-20(28)10-7-11-21(22)29)24(32-23(18)33-25)34-26(37)35-27(2,3)4/h7,10-11,15-17H,5-6,8-9,12-14H2,1-4H3,(H3,30,31,32,33,34,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3450 (1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...) Show SMILES CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.66,2.48,;-13.15,2.08,;-13.55,.59,;-11.26,3.96,;-9.78,4.36,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H31Cl2N7O/c1-4-27-24(34)32-22-17(20-18(25)10-9-11-19(20)26)14-16-15-29-23(31-21(16)30-22)28-12-7-8-13-33(5-2)6-3/h9-11,14-15H,4-8,12-13H2,1-3H3,(H3,27,28,29,30,31,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6164 (1,6-naphthyridine 33 | 1-[3-(2,6-dichlorophenyl)-7...) Show SMILES CCNC(=O)Nc1nc2cc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(2.8,-4.2,;3.88,-3.12,;3.88,-1.58,;5.22,-.81,;6.55,-1.58,;5.22,.73,;3.88,1.5,;2.55,.73,;1.22,1.5,;-.12,.73,;-1.45,1.5,;-2.78,.73,;-4.27,1.13,;-5.36,.04,;-6.85,.44,;-7.94,-.65,;-9.27,.12,;-10.6,-.65,;-10.6,-2.19,;-11.94,-2.96,;-9.27,-2.96,;-7.94,-2.19,;-1.45,3.05,;-.12,3.82,;1.22,3.05,;2.55,3.82,;3.88,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)| Show InChI InChI=1S/C25H31Cl2N7O/c1-3-28-25(35)32-24-18(23-19(26)6-4-7-20(23)27)14-17-16-30-22(15-21(17)31-24)29-8-5-9-34-12-10-33(2)11-13-34/h4,6-7,14-16H,3,5,8-13H2,1-2H3,(H,29,30)(H2,28,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3471 (1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...) Show SMILES CC(C)NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;2.83,-4.29,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.87,2.22,;-13.24,1.51,;-13.31,-.03,;-14.64,-.8,;-12.01,-.86,;-10.64,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C25H32Cl2N8O/c1-16(2)30-25(36)33-23-18(21-19(26)6-4-7-20(21)27)14-17-15-29-24(32-22(17)31-23)28-8-5-9-35-12-10-34(3)11-13-35/h4,6-7,14-16H,5,8-13H2,1-3H3,(H3,28,29,30,31,32,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6188 (3-tert-butyl-1-[6-(3,5-dimethoxyphenyl)-2-{[3-(4-m...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)nc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C28H40N8O3/c1-28(2,3)34-27(37)33-25-23(19-14-21(38-5)17-22(15-19)39-6)16-20-18-30-26(32-24(20)31-25)29-8-7-9-36-12-10-35(4)11-13-36/h14-18H,7-13H2,1-6H3,(H3,29,30,31,32,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM6165 (1,6-naphthyridine 34 | 3-tert-butyl-1-[3-(2,6-dich...) Show SMILES CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-11.94,-2.96,;-10.6,-2.19,;-10.6,-.65,;-9.27,.12,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,;-7.94,-2.19,;-9.27,-2.96,)| Show InChI InChI=1S/C27H35Cl2N7O/c1-27(2,3)34-26(37)33-25-19(24-20(28)7-5-8-21(24)29)15-18-17-31-23(16-22(18)32-25)30-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-17H,6,9-14H2,1-4H3,(H,30,31)(H2,32,33,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3477 (1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...) Show SMILES CN(C)CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(29.03,-22.2,;30.36,-21.43,;31.7,-22.2,;30.36,-19.89,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)| Show InChI InChI=1S/C26H35Cl2N9O/c1-35(2)11-9-30-26(38)34-24-19(22-20(27)6-4-7-21(22)28)16-18-17-31-25(33-23(18)32-24)29-8-5-10-37-14-12-36(3)13-15-37/h4,6-7,16-17H,5,8-15H2,1-3H3,(H3,29,30,31,32,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6147 (1,6-naphthyridine 16 | 1-[3-(3,5-dimethoxyphenyl)-...) Show SMILES CCNC(=O)Nc1nc2cc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C27H37N7O3/c1-5-28-27(35)32-26-23(19-13-21(36-3)16-22(14-19)37-4)15-20-18-30-25(17-24(20)31-26)29-7-6-8-34-11-9-33(2)10-12-34/h13-18H,5-12H2,1-4H3,(H,29,30)(H2,28,31,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6188 (3-tert-butyl-1-[6-(3,5-dimethoxyphenyl)-2-{[3-(4-m...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)nc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C28H40N8O3/c1-28(2,3)34-27(37)33-25-23(19-14-21(38-5)17-22(15-19)39-6)16-20-18-30-26(32-24(20)31-25)29-8-7-9-36-12-10-35(4)11-13-36/h14-18H,7-13H2,1-6H3,(H3,29,30,31,32,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3470 (1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCC=C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;5.49,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C25H30Cl2N8O/c1-3-8-29-25(36)33-23-18(21-19(26)6-4-7-20(21)27)15-17-16-30-24(32-22(17)31-23)28-9-5-10-35-13-11-34(2)12-14-35/h3-4,6-7,15-16H,1,5,8-14H2,2H3,(H3,28,29,30,31,32,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3501 (3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=S)Nc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.64,-19.79,;27.53,-21.32,;28.8,-22.19,;30.19,-21.52,;30.3,-19.98,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)| Show InChI InChI=1S/C28H30Cl2N8S/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h2-5,7-10,17-18H,6,11-16H2,1H3,(H3,31,32,33,34,35,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3497 (6-arylpyrido[2,3-d]pyrimidine deriv. 79 | N-[6-(2,...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NS(=O)(=O)c4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-16.04,;28.46,-18.14,;28.46,-19.68,;29.8,-20.45,;31.13,-19.68,;31.13,-18.14,;29.8,-17.37,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)| Show InChI InChI=1S/C27H29Cl2N7O2S/c1-35-13-15-36(16-14-35)12-6-11-30-27-31-18-19-17-21(24-22(28)9-5-10-23(24)29)26(32-25(19)33-27)34-39(37,38)20-7-3-2-4-8-20/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3493 (3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...) Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=S)NCCCN3CCOCC3)nc2n1)-c1c(Cl)cccc1Cl |(11.69,-12.19,;13.02,-12.96,;13.02,-14.5,;11.69,-15.27,;11.69,-16.81,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;30.36,-19.89,;30.36,-21.43,;31.7,-22.2,;31.64,-23.74,;32.95,-24.55,;34.31,-23.83,;34.36,-22.29,;33.05,-21.48,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)| Show InChI InChI=1S/C29H40Cl2N8OS/c1-3-38(4-2)13-6-5-11-32-28-34-20-21-19-22(25-23(30)9-7-10-24(25)31)27(35-26(21)36-28)37-29(41)33-12-8-14-39-15-17-40-18-16-39/h7,9-10,19-20H,3-6,8,11-18H2,1-2H3,(H3,32,33,34,35,36,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6153 (1,6-naphthyridine 22 | 1-(7-{[4-(diethylamino)buty...) Show SMILES CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C27H38N6O3/c1-6-28-27(34)32-26-23(19-13-21(35-4)16-22(14-19)36-5)15-20-18-30-25(17-24(20)31-26)29-11-9-10-12-33(7-2)8-3/h13-18H,6-12H2,1-5H3,(H,29,30)(H2,28,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6151 (1,6-naphthyridine 20 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C30H43N7O3/c1-30(2,3)35-29(38)34-28-25(21-15-23(39-5)18-24(16-21)40-6)17-22-20-32-27(19-26(22)33-28)31-9-7-8-10-37-13-11-36(4)12-14-37/h15-20H,7-14H2,1-6H3,(H,31,32)(H2,33,34,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6148 (1,6-naphthyridine 17 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C29H41N7O3/c1-29(2,3)34-28(37)33-27-24(20-14-22(38-5)17-23(15-20)39-6)16-21-19-31-26(18-25(21)32-27)30-8-7-9-36-12-10-35(4)11-13-36/h14-19H,7-13H2,1-6H3,(H,30,31)(H2,32,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3469 (1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...) Show SMILES CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.87,2.22,;-13.24,1.51,;-13.31,-.03,;-14.64,-.8,;-12.01,-.86,;-10.64,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H30Cl2N8O/c1-3-27-24(35)32-22-17(20-18(25)6-4-7-19(20)26)14-16-15-29-23(31-21(16)30-22)28-8-5-9-34-12-10-33(2)11-13-34/h4,6-7,14-15H,3,5,8-13H2,1-2H3,(H3,27,28,29,30,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6154 (1,6-naphthyridine 23 | 3-tert-butyl-1-(7-{[4-(diet...) Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C29H42N6O3/c1-8-35(9-2)13-11-10-12-30-26-18-25-21(19-31-26)16-24(20-14-22(37-6)17-23(15-20)38-7)27(32-25)33-28(36)34-29(3,4)5/h14-19H,8-13H2,1-7H3,(H,30,31)(H2,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6168 (1,6-naphthyridine 37 | 3-tert-butyl-1-[3-(2,6-dich...) Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.31,1.64,;-9.82,1.24,;-9.42,-.25,;-10.51,-1.34,;-12,-.94,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)| Show InChI InChI=1S/C27H36Cl2N6O/c1-6-35(7-2)14-9-8-13-30-23-16-22-18(17-31-23)15-19(24-20(28)11-10-12-21(24)29)25(32-22)33-26(36)34-27(3,4)5/h10-12,15-17H,6-9,13-14H2,1-5H3,(H,30,31)(H2,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6168 (1,6-naphthyridine 37 | 3-tert-butyl-1-[3-(2,6-dich...) Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.31,1.64,;-9.82,1.24,;-9.42,-.25,;-10.51,-1.34,;-12,-.94,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)| Show InChI InChI=1S/C27H36Cl2N6O/c1-6-35(7-2)14-9-8-13-30-23-16-22-18(17-31-23)15-19(24-20(28)11-10-12-21(24)29)25(32-22)33-26(36)34-27(3,4)5/h10-12,15-17H,6-9,13-14H2,1-5H3,(H,30,31)(H2,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6165 (1,6-naphthyridine 34 | 3-tert-butyl-1-[3-(2,6-dich...) Show SMILES CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-11.94,-2.96,;-10.6,-2.19,;-10.6,-.65,;-9.27,.12,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,;-7.94,-2.19,;-9.27,-2.96,)| Show InChI InChI=1S/C27H35Cl2N7O/c1-27(2,3)34-26(37)33-25-19(24-20(28)7-5-8-21(24)29)15-18-17-31-23(16-22(18)32-25)30-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-17H,6,9-14H2,1-4H3,(H,30,31)(H2,32,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6190 (3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...) Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6157 (1,6-naphthyridine 26 | 3-tert-butyl-1-(7-{[5-(diet...) Show SMILES CCN(CC)CCCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C30H44N6O3/c1-8-36(9-2)14-12-10-11-13-31-27-19-26-22(20-32-27)17-25(21-15-23(38-6)18-24(16-21)39-7)28(33-26)34-29(37)35-30(3,4)5/h15-20H,8-14H2,1-7H3,(H,31,32)(H2,33,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6167 (1,6-naphthyridine 36 | 1-[3-(2,6-dichlorophenyl)-7...) Show SMILES CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(2.55,-3.89,;3.88,-3.12,;3.88,-1.58,;5.22,-.81,;6.55,-1.58,;5.22,.73,;3.88,1.5,;2.55,.73,;1.22,1.5,;-.12,.73,;-1.45,1.5,;-2.78,.73,;-4.27,1.13,;-5.36,.04,;-6.85,.44,;-7.94,-.65,;-9.42,-.25,;-9.82,1.24,;-11.31,1.64,;-10.51,-1.34,;-12,-.94,;-1.45,3.05,;-.12,3.82,;1.22,3.05,;2.55,3.82,;3.88,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)| Show InChI InChI=1S/C25H32Cl2N6O/c1-4-28-25(34)32-24-18(23-19(26)10-9-11-20(23)27)14-17-16-30-22(15-21(17)31-24)29-12-7-8-13-33(5-2)6-3/h9-11,14-16H,4-8,12-13H2,1-3H3,(H,29,30)(H2,28,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3486 (3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...) Show SMILES COc1cccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)c1 |(32.95,-21.55,;31.6,-22.28,;30.29,-21.47,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-12-14-39(15-13-38)11-5-10-32-28-33-18-19-16-22(25-23(30)8-4-9-24(25)31)27(35-26(19)36-28)37-29(40)34-20-6-3-7-21(17-20)41-2/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H3,32,33,34,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM3474 (1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC4CCCCC4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.8,-4.24,;2.74,-5.78,;4.04,-6.6,;5.4,-5.88,;5.46,-4.34,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C28H36Cl2N8O/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h5,9-10,17-18,20H,2-4,6-8,11-16H2,1H3,(H3,31,32,33,34,35,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM6150 (1,6-naphthyridine 19 | 3-tert-butyl-1-[3-(3,5-dime...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C29H40N6O4/c1-29(2,3)34-28(36)33-27-24(20-14-22(37-4)17-23(15-20)38-5)16-21-19-31-26(18-25(21)32-27)30-8-6-7-9-35-10-12-39-13-11-35/h14-19H,6-13H2,1-5H3,(H,30,31)(H2,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3473 (1-benzyl-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methyl...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;1.49,-3.52,;.16,-4.29,;.16,-5.83,;1.49,-6.6,;2.83,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C29H32Cl2N8O/c1-38-13-15-39(16-14-38)12-6-11-32-28-33-19-21-17-22(25-23(30)9-5-10-24(25)31)27(35-26(21)36-28)37-29(40)34-18-20-7-3-2-4-8-20/h2-5,7-10,17,19H,6,11-16,18H2,1H3,(H3,32,33,34,35,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM4618 (1,6-naphthyridine 14 | 1,6-naphthyridine deriv. 20...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C28H38N6O4/c1-28(2,3)33-27(35)32-26-23(19-13-21(36-4)16-22(14-19)37-5)15-20-18-30-25(17-24(20)31-26)29-7-6-8-34-9-11-38-12-10-34/h13-18H,6-12H2,1-5H3,(H,29,30)(H2,31,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...				J Med Chem 48: 4628-53 (2005) Article DOI: 10.1021/jm0500931 BindingDB Entry DOI: 10.7270/Q2DV1H3W
					More data for this Ligand-Target Pair

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