Compile Data Set for Download or QSAR

Found 14 hits of non-affinity data for polymerid = 13,3933   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3444 (6-(2,6-dichlorophenyl)-2-N-[2-(diethylamino)ethyl]...) Show SMILES CCN(CC)CCNc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-11.34,.05,;-10.57,1.39,;-9.09,1.79,;-8.69,3.27,;-7.2,3.67,;-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,;.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/C19H22Cl2N6/c1-3-27(4-2)9-8-23-19-24-11-12-10-13(17(22)25-18(12)26-19)16-14(20)6-5-7-15(16)21/h5-7,10-11H,3-4,8-9H2,1-2H3,(H3,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM3449 (6-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]...) Show SMILES CCN(CC)CCCCNc1ncc2cc(c(N)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,;.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/C21H26Cl2N6/c1-3-29(4-2)11-6-5-10-25-21-26-13-14-12-15(19(24)27-20(14)28-21)18-16(22)8-7-9-17(18)23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H3,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM3454 (6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propy...) Show SMILES CN(C)CCCNc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-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,;.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/C18H20Cl2N6/c1-26(2)8-4-7-22-18-23-10-11-9-12(16(21)24-17(11)25-18)15-13(19)5-3-6-14(15)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H3,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM3456 (6-(2,6-dichlorophenyl)-2-N-[3-(dimethylamino)propy...) Show SMILES CN(C)CCCN(C)c1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-5.18,-1.21,;-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,;.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/C19H22Cl2N6/c1-26(2)8-5-9-27(3)19-23-11-12-10-13(17(22)24-18(12)25-19)16-14(20)6-4-7-15(16)21/h4,6-7,10-11H,5,8-9H2,1-3H3,(H2,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM3458 (6-(2,6-dichlorophenyl)-2-N-{2-[(dimethylamino)meth...) Show SMILES CN(C)CC(C)(C)CNc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-9.09,1.79,;-8,.7,;-8.4,-.79,;-7.6,2.19,;-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,;.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/C20H24Cl2N6/c1-20(2,11-28(3)4)10-25-19-24-9-12-8-13(17(23)26-18(12)27-19)16-14(21)6-5-7-15(16)22/h5-9H,10-11H2,1-4H3,(H3,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM3460 (6-(2,6-dichlorophenyl)-2-N-[3-(morpholin-4-yl)prop...) Show SMILES Nc1nc2nc(NCCCN3CCOCC3)ncc2cc1-c1c(Cl)cccc1Cl |(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,;-11.91,2.16,;-13.24,1.39,;-13.24,-.15,;-11.91,-.92,;-10.57,-.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/C20H22Cl2N6O/c21-15-3-1-4-16(22)17(15)14-11-13-12-25-20(27-19(13)26-18(14)23)24-5-2-6-28-7-9-29-10-8-28/h1,3-4,11-12H,2,5-10H2,(H3,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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 (Gallus gallus (Chicken))	BDBM50303586 (1-(3-tert-Butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)21-15-22(28(27-21)17-10-7-11-18(14-17)29(31)32)26-23(30)25-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,1-3H3,(H2,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society					Assay Description Tyrosine kinase inhibition assay using wild type cSrc measured by a fluorescence-labeled approach.				Nat Chem Biol 5: 394-6 (2009) Article DOI: 10.1038/nchembio.162 BindingDB Entry DOI: 10.7270/Q20V8B46
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3466 (6-(2,6-dichlorophenyl)-2-N-[4-(4-methylpiperazin-1...) Show SMILES CN1CCN(CCCCNc2ncc3cc(c(N)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,;.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/C22H27Cl2N7/c1-30-9-11-31(12-10-30)8-3-2-7-26-22-27-14-15-13-16(20(25)28-21(15)29-22)19-17(23)5-4-6-18(19)24/h4-6,13-14H,2-3,7-12H2,1H3,(H3,25,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM4495 (4-(2,4-Dichlorophenoxy)-6,7-dimethoxy-3-quinolinec...) Show SMILES COc1cc2ncc(C#N)c(Oc3ccc(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C18H12Cl2N2O3/c1-23-16-6-12-14(7-17(16)24-2)22-9-10(8-21)18(12)25-15-4-3-11(19)5-13(15)20/h3-7,9H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	30
Wyeth-Ayerst Research					Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...				J Med Chem 44: 822-33 (2001) Article DOI: 10.1021/jm000420z BindingDB Entry DOI: 10.7270/Q2Z31WVP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4497 (4-[(2,4-Dichlorophenylamino)methyl]-6,7-dimethoxy-...) Show SMILES COc1cc2ncc(C#N)c(NCc3ccc(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C19H15Cl2N3O2/c1-25-17-6-14-16(7-18(17)26-2)23-10-12(8-22)19(14)24-9-11-3-4-13(20)5-15(11)21/h3-7,10H,9H2,1-2H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	30
Wyeth-Ayerst Research					Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...				J Med Chem 44: 822-33 (2001) Article DOI: 10.1021/jm000420z BindingDB Entry DOI: 10.7270/Q2Z31WVP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4498 (4-(2,4-Dichlorophenylmethylamino)-6,7-dimethoxy-3-...) Show SMILES COc1cc2ncc(C#N)c(N(C)c3ccc(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C19H15Cl2N3O2/c1-24(16-5-4-12(20)6-14(16)21)19-11(9-22)10-23-15-8-18(26-3)17(25-2)7-13(15)19/h4-8,10H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	30
Wyeth-Ayerst Research					Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...				J Med Chem 44: 822-33 (2001) Article DOI: 10.1021/jm000420z BindingDB Entry DOI: 10.7270/Q2Z31WVP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM4503 (3-quinolinecarbonitrile deriv. 2g | 4-[(2,4-Dichlo...) Show SMILES COc1cc(OC)c2c(Nc3ccc(Cl)cc3Cl)c(cnc2c1)C#N Show InChI InChI=1S/C18H13Cl2N3O2/c1-24-12-6-15-17(16(7-12)25-2)18(10(8-21)9-22-15)23-14-4-3-11(19)5-13(14)20/h3-7,9H,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	30
Wyeth-Ayerst Research					Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...				J Med Chem 44: 822-33 (2001) Article DOI: 10.1021/jm000420z BindingDB Entry DOI: 10.7270/Q2Z31WVP
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM50115216 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H23N5O/c1-20(2,3)17-13-18(23-19(26)22-15-9-5-4-6-10-15)25(24-17)16-11-7-8-14(21)12-16/h4-13H,21H2,1-3H3,(H2,22,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society					Assay Description Tyrosine kinase inhibition assay using wild type cSrc measured by a fluorescence-labeled approach.				Nat Chem Biol 5: 394-6 (2009) Article DOI: 10.1038/nchembio.162 BindingDB Entry DOI: 10.7270/Q20V8B46
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3462 (6-(2,6-dichlorophenyl)-2-N-[3-(2-methylpiperidin-1...) Show SMILES CC1CCCCN1CCCNc1ncc2cc(c(N)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,;.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/C22H26Cl2N6/c1-14-6-2-3-10-30(14)11-5-9-26-22-27-13-15-12-16(20(25)28-21(15)29-22)19-17(23)7-4-8-18(19)24/h4,7-8,12-14H,2-3,5-6,9-11H2,1H3,(H3,25,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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