Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 6066   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107065 (US8592432, 49) Show SMILES COc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C29H37N7O3S/c1-17(2)40(37,38)25-10-8-7-9-22(25)30-27-26-19(4)34-35-28(26)33-29(32-27)31-23-15-18(3)21(16-24(23)39-6)20-11-13-36(5)14-12-20/h7-10,15-17,20H,11-14H2,1-6H3,(H3,30,31,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107037 (US8592432, 11) Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C2CCC2)n1 Show InChI InChI=1S/C34H42ClN7O5S/c1-21(2)47-29-16-22-19-42(23-12-14-41(15-13-23)31(43)20-40(3)4)33(44)25(22)17-28(29)38-34-36-18-26(35)32(39-34)37-27-10-5-6-11-30(27)48(45,46)24-8-7-9-24/h5-6,10-11,16-18,21,23-24H,7-9,12-15,19-20H2,1-4H3,(H2,36,37,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107039 (US8592432, 14) Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)C3CCCN3C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C35H44ClN7O5S/c1-21(2)48-30-17-23-20-43(24-12-15-42(16-13-24)34(45)29-10-8-14-41(29)5)33(44)25(23)18-28(30)39-35-37-19-26(36)32(40-35)38-27-9-6-7-11-31(27)49(46,47)22(3)4/h6-7,9,11,17-19,21-22,24,29H,8,10,12-16,20H2,1-5H3,(H2,37,38,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107045 (US8592432, 20) Show SMILES COc1cc2CN(C3CN(C3)C(=O)[C@@H]3CCCN3C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r| Show InChI InChI=1S/C31H36ClN7O5S/c1-18(2)45(42,43)27-10-6-5-8-23(27)34-28-22(32)14-33-31(36-28)35-24-13-21-19(12-26(24)44-4)15-39(29(21)40)20-16-38(17-20)30(41)25-9-7-11-37(25)3/h5-6,8,10,12-14,18,20,25H,7,9,11,15-17H2,1-4H3,(H2,33,34,35,36)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107049 (US8592432, 25) Show SMILES COc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C32H42N8O4S/c1-19(2)45(42,43)27-11-9-8-10-24(27)33-30-29-21(4)37-38-31(29)36-32(35-30)34-25-16-20(3)23(17-26(25)44-7)22-12-14-40(15-13-22)28(41)18-39(5)6/h8-11,16-17,19,22H,12-15,18H2,1-7H3,(H3,33,34,35,36,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107043 (US8592432, 18) Show SMILES COc1cc2CN(C3CN(C3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C29H34ClN7O5S/c1-17(2)43(40,41)25-9-7-6-8-22(25)32-27-21(30)12-31-29(34-27)33-23-11-20-18(10-24(23)42-5)13-37(28(20)39)19-14-36(15-19)26(38)16-35(3)4/h6-12,17,19H,13-16H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107078 (US8592432, 64) Show SMILES COc1cc(C2CCOCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C28H34N6O4S/c1-16(2)39(35,36)24-9-7-6-8-21(24)29-26-25-18(4)33-34-27(25)32-28(31-26)30-22-14-17(3)20(15-23(22)37-5)19-10-12-38-13-11-19/h6-9,14-16,19H,10-13H2,1-5H3,(H3,29,30,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107085 (US8592432, 79) Show SMILES CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1 Show InChI InChI=1S/C33H44N6O4S/c1-20(2)43-28-18-25(24-11-13-39(14-12-24)15-16-40)22(5)17-27(28)36-33-37-31-30(23(6)19-34-31)32(38-33)35-26-9-7-8-10-29(26)44(41,42)21(3)4/h7-10,17-21,24,40H,11-16H2,1-6H3,(H3,34,35,36,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107035 (US8592432, 9) Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C33H42ClN7O5S/c1-20(2)46-28-15-22-18-41(23-11-13-40(14-12-23)30(42)19-39(5)6)32(43)24(22)16-27(28)37-33-35-17-25(34)31(38-33)36-26-9-7-8-10-29(26)47(44,45)21(3)4/h7-10,15-17,20-21,23H,11-14,18-19H2,1-6H3,(H2,35,36,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107083 (US8592432, 69) Show SMILES CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1 Show InChI InChI=1S/C33H43N7O4S/c1-19(2)44-27-16-24(23-11-13-40(14-12-23)18-29(34)41)21(5)15-26(27)37-33-38-31-30(22(6)17-35-31)32(39-33)36-25-9-7-8-10-28(25)45(42,43)20(3)4/h7-10,15-17,19-20,23H,11-14,18H2,1-6H3,(H2,34,41)(H3,35,36,37,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107050 (US8592432, 26) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C34H46N8O4S/c1-20(2)46-28-18-25(24-13-15-42(16-14-24)30(43)19-41(7)8)22(5)17-27(28)36-34-37-32(31-23(6)39-40-33(31)38-34)35-26-11-9-10-12-29(26)47(44,45)21(3)4/h9-12,17-18,20-21,24H,13-16,19H2,1-8H3,(H3,35,36,37,38,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107029 (US8592432, 2) Show SMILES COc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C30H39ClN6O4S/c1-19(2)42(39,40)27-10-8-7-9-24(27)33-29-23(31)17-32-30(35-29)34-25-15-20(3)22(16-26(25)41-6)21-11-13-37(14-12-21)28(38)18-36(4)5/h7-10,15-17,19,21H,11-14,18H2,1-6H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107084 (US8592432, 76) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1 Show InChI InChI=1S/C32H42N6O3S/c1-19(2)41-27-17-24(23-12-14-38(7)15-13-23)21(5)16-26(27)35-32-36-30-29(22(6)18-33-30)31(37-32)34-25-10-8-9-11-28(25)42(39,40)20(3)4/h8-11,16-20,23H,12-15H2,1-7H3,(H3,33,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107075 (US8592432, 61) Show SMILES CCN1CCC(C1)c1ccc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1 Show InChI InChI=1S/C27H33N7O2S/c1-5-34-15-14-20(16-34)19-10-12-21(13-11-19)28-27-30-25(24-18(4)32-33-26(24)31-27)29-22-8-6-7-9-23(22)37(35,36)17(2)3/h6-13,17,20H,5,14-16H2,1-4H3,(H3,28,29,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107060 (US8592432, 37) Show SMILES CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C32H43N7O4S/c1-19(2)43-27-18-24(23-11-13-39(14-12-23)15-16-40)21(5)17-26(27)34-32-35-30(29-22(6)37-38-31(29)36-32)33-25-9-7-8-10-28(25)44(41,42)20(3)4/h7-10,17-20,23,40H,11-16H2,1-6H3,(H3,33,34,35,36,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107042 (US8592432, 17) Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)C3CN(C)C3)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C34H42ClN7O5S/c1-20(2)47-29-14-22-19-42(24-10-12-41(13-11-24)32(43)23-17-40(5)18-23)33(44)25(22)15-28(29)38-34-36-16-26(35)31(39-34)37-27-8-6-7-9-30(27)48(45,46)21(3)4/h6-9,14-16,20-21,23-24H,10-13,17-19H2,1-5H3,(H2,36,37,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107061 (US8592432, 38) Show SMILES COCCN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C Show InChI InChI=1S/C33H45N7O4S/c1-20(2)44-28-19-25(24-12-14-40(15-13-24)16-17-43-7)22(5)18-27(28)35-33-36-31(30-23(6)38-39-32(30)37-33)34-26-10-8-9-11-29(26)45(41,42)21(3)4/h8-11,18-21,24H,12-17H2,1-7H3,(H3,34,35,36,37,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107066 (US8592432, 50) Show SMILES COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C28H35N7O3S/c1-16(2)39(36,37)24-9-7-6-8-21(24)30-26-25-18(4)34-35-27(25)33-28(32-26)31-22-14-17(3)20(15-23(22)38-5)19-10-12-29-13-11-19/h6-9,14-16,19,29H,10-13H2,1-5H3,(H3,30,31,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107044 (US8592432, 19) Show SMILES COc1cc2CN(C3CN(C3)C(=O)[C@@H]3CCCN3)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r| Show InChI InChI=1S/C30H34ClN7O5S/c1-17(2)44(41,42)26-9-5-4-7-22(26)34-27-21(31)13-33-30(36-27)35-24-12-20-18(11-25(24)43-3)14-38(28(20)39)19-15-37(16-19)29(40)23-8-6-10-32-23/h4-5,7,9,11-13,17,19,23,32H,6,8,10,14-16H2,1-3H3,(H2,33,34,35,36)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107046 (US8592432, 21) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c[nH]nc2n1 Show InChI InChI=1S/C33H44N8O4S/c1-20(2)45-28-17-24(23-12-14-41(15-13-23)30(42)19-40(6)7)22(5)16-27(28)36-33-37-31(25-18-34-39-32(25)38-33)35-26-10-8-9-11-29(26)46(43,44)21(3)4/h8-11,16-18,20-21,23H,12-15,19H2,1-7H3,(H3,34,35,36,37,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107033 (US8592432, 7) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)[C@@H]2CCCN2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r| Show InChI InChI=1S/C33H43ClN6O4S/c1-20(2)44-29-18-24(23-12-15-40(16-13-23)32(41)27-10-8-14-35-27)22(5)17-28(29)38-33-36-19-25(34)31(39-33)37-26-9-6-7-11-30(26)45(42,43)21(3)4/h6-7,9,11,17-21,23,27,35H,8,10,12-16H2,1-5H3,(H2,36,37,38,39)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107058 (US8592432, 35) Show SMILES CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C32H42N8O4S/c1-18(2)44-26-16-23(22-11-13-40(14-12-22)17-28(33)41)20(5)15-25(26)35-32-36-30(29-21(6)38-39-31(29)37-32)34-24-9-7-8-10-27(24)45(42,43)19(3)4/h7-10,15-16,18-19,22H,11-14,17H2,1-6H3,(H2,33,41)(H3,34,35,36,37,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107069 (US8592432, 54) Show SMILES CC(C)Oc1cc(C2CCN(CCC(=O)N(C)C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C35H48N8O4S/c1-21(2)47-29-20-26(25-13-16-43(17-14-25)18-15-31(44)42(7)8)23(5)19-28(29)37-35-38-33(32-24(6)40-41-34(32)39-35)36-27-11-9-10-12-30(27)48(45,46)22(3)4/h9-12,19-22,25H,13-18H2,1-8H3,(H3,36,37,38,39,40,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107073 (US8592432, 59) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C2CCNCC2)nc2n[nH]c(C)c12 Show InChI InChI=1S/C26H31N7O2S/c1-16(2)36(34,35)22-7-5-4-6-21(22)29-24-23-17(3)32-33-25(23)31-26(30-24)28-20-10-8-18(9-11-20)19-12-14-27-15-13-19/h4-11,16,19,27H,12-15H2,1-3H3,(H3,28,29,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107077 (US8592432, 63) Show SMILES CC(C)Oc1cc(C2CCN(CC2)[C@@H]2CCS(=O)(=O)C2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 |r| Show InChI InChI=1S/C34H45N7O5S2/c1-20(2)46-29-18-26(24-11-14-41(15-12-24)25-13-16-47(42,43)19-25)22(5)17-28(29)36-34-37-32(31-23(6)39-40-33(31)38-34)35-27-9-7-8-10-30(27)48(44,45)21(3)4/h7-10,17-18,20-21,24-25H,11-16,19H2,1-6H3,(H3,35,36,37,38,39,40)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107067 (US8592432, 52) Show SMILES CC(C)Oc1cc(C2CCN(CCC(N)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C33H44N8O4S/c1-19(2)45-27-18-24(23-11-14-41(15-12-23)16-13-29(34)42)21(5)17-26(27)36-33-37-31(30-22(6)39-40-32(30)38-33)35-25-9-7-8-10-28(25)46(43,44)20(3)4/h7-10,17-20,23H,11-16H2,1-6H3,(H2,34,42)(H3,35,36,37,38,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107079 (US8592432, 65) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CCN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C35H48N8O4S/c1-21(2)47-29-20-26(25-13-17-43(18-14-25)31(44)15-16-42(7)8)23(5)19-28(29)37-35-38-33(32-24(6)40-41-34(32)39-35)36-27-11-9-10-12-30(27)48(45,46)22(3)4/h9-12,19-22,25H,13-18H2,1-8H3,(H3,36,37,38,39,40,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107076 (US8592432, 62) Show SMILES CC(C)Oc1cc(C2CCN(CC2)[C@H]2CCS(=O)(=O)C2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 |r| Show InChI InChI=1S/C34H45N7O5S2/c1-20(2)46-29-18-26(24-11-14-41(15-12-24)25-13-16-47(42,43)19-25)22(5)17-28(29)36-34-37-32(31-23(6)39-40-33(31)38-34)35-27-9-7-8-10-30(27)48(44,45)21(3)4/h7-10,17-18,20-21,24-25H,11-16,19H2,1-6H3,(H3,35,36,37,38,39,40)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107057 (US8592432, 34) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C31H41N7O3S/c1-18(2)41-26-17-23(22-12-14-38(7)15-13-22)20(5)16-25(26)33-31-34-29(28-21(6)36-37-30(28)35-31)32-24-10-8-9-11-27(24)42(39,40)19(3)4/h8-11,16-19,22H,12-15H2,1-7H3,(H3,32,33,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107059 (US8592432, 36) Show SMILES CNC(=O)CN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C Show InChI InChI=1S/C33H44N8O4S/c1-19(2)45-27-17-24(23-12-14-41(15-13-23)18-29(42)34-7)21(5)16-26(27)36-33-37-31(30-22(6)39-40-32(30)38-33)35-25-10-8-9-11-28(25)46(43,44)20(3)4/h8-11,16-17,19-20,23H,12-15,18H2,1-7H3,(H,34,42)(H3,35,36,37,38,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107068 (US8592432, 53) Show SMILES CC(C)Oc1cc(C2CCN(CCC(=O)N3CCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C36H48N8O4S/c1-22(2)48-30-21-27(26-12-17-43(18-13-26)19-14-32(45)44-15-9-16-44)24(5)20-29(30)38-36-39-34(33-25(6)41-42-35(33)40-36)37-28-10-7-8-11-31(28)49(46,47)23(3)4/h7-8,10-11,20-23,26H,9,12-19H2,1-6H3,(H3,37,38,39,40,41,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107051 (US8592432, 27) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)Cn2cccn2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C35H43N9O4S/c1-21(2)48-29-19-26(25-12-16-43(17-13-25)31(45)20-44-15-9-14-36-44)23(5)18-28(29)38-35-39-33(32-24(6)41-42-34(32)40-35)37-27-10-7-8-11-30(27)49(46,47)22(3)4/h7-11,14-15,18-19,21-22,25H,12-13,16-17,20H2,1-6H3,(H3,37,38,39,40,41,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107040 (US8592432, 15) Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)[C@@H]3CCCN3C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r| Show InChI InChI=1S/C35H44ClN7O5S/c1-21(2)48-30-17-23-20-43(24-12-15-42(16-13-24)34(45)29-10-8-14-41(29)5)33(44)25(23)18-28(30)39-35-37-19-26(36)32(40-35)38-27-9-6-7-11-31(27)49(46,47)22(3)4/h6-7,9,11,17-19,21-22,24,29H,8,10,12-16,20H2,1-5H3,(H2,37,38,39,40)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107064 (US8592432, 46) Show SMILES CC(C)Oc1cc(C2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C33H45N7O5S2/c1-20(2)45-28-19-25(24-12-14-40(15-13-24)16-17-46(7,41)42)22(5)18-27(28)35-33-36-31(30-23(6)38-39-32(30)37-33)34-26-10-8-9-11-29(26)47(43,44)21(3)4/h8-11,18-21,24H,12-17H2,1-7H3,(H3,34,35,36,37,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107070 (US8592432, 55) Show SMILES CNC(=O)CCN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C Show InChI InChI=1S/C34H46N8O4S/c1-20(2)46-28-19-25(24-12-15-42(16-13-24)17-14-30(43)35-7)22(5)18-27(28)37-34-38-32(31-23(6)40-41-33(31)39-34)36-26-10-8-9-11-29(26)47(44,45)21(3)4/h8-11,18-21,24H,12-17H2,1-7H3,(H,35,43)(H3,36,37,38,39,40,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436855 (CHEMBL2403842 | US8592432, 1) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C32H43ClN6O4S/c1-20(2)43-28-17-24(23-12-14-39(15-13-23)30(40)19-38(6)7)22(5)16-27(28)36-32-34-18-25(33)31(37-32)35-26-10-8-9-11-29(26)44(41,42)21(3)4/h8-11,16-18,20-21,23H,12-15,19H2,1-7H3,(H2,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107052 (US8592432, 28) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)Cn2ccnc2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C35H43N9O4S/c1-21(2)48-29-18-26(25-11-14-44(15-12-25)31(45)19-43-16-13-36-20-43)23(5)17-28(29)38-35-39-33(32-24(6)41-42-34(32)40-35)37-27-9-7-8-10-30(27)49(46,47)22(3)4/h7-10,13,16-18,20-22,25H,11-12,14-15,19H2,1-6H3,(H3,37,38,39,40,41,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107047 (US8592432, 22) Show SMILES CC(C)Oc1cc(C2CCN(C[C@@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c[nH]nc2n1 |r| Show InChI InChI=1S/C32H40F3N7O4S/c1-18(2)46-26-15-22(21-10-12-42(13-11-21)17-28(43)32(33,34)35)20(5)14-25(26)38-31-39-29(23-16-36-41-30(23)40-31)37-24-8-6-7-9-27(24)47(44,45)19(3)4/h6-9,14-16,18-19,21,28,43H,10-13,17H2,1-5H3,(H3,36,37,38,39,40,41)/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107038 (US8592432, 12) Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)[C@@H]3CCCN3)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r| Show InChI InChI=1S/C34H42ClN7O5S/c1-20(2)47-29-16-22-19-42(23-11-14-41(15-12-23)33(44)27-9-7-13-36-27)32(43)24(22)17-28(29)39-34-37-18-25(35)31(40-34)38-26-8-5-6-10-30(26)48(45,46)21(3)4/h5-6,8,10,16-18,20-21,23,27,36H,7,9,11-15,19H2,1-4H3,(H2,37,38,39,40)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107036 (US8592432, 10) Show SMILES CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C2CCCCC2)n1 Show InChI InChI=1S/C36H46ClN7O5S/c1-23(2)49-31-18-24-21-44(25-14-16-43(17-15-25)33(45)22-42(3)4)35(46)27(24)19-30(31)40-36-38-20-28(37)34(41-36)39-29-12-8-9-13-32(29)50(47,48)26-10-6-5-7-11-26/h8-9,12-13,18-20,23,25-26H,5-7,10-11,14-17,21-22H2,1-4H3,(H2,38,39,40,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107034 (US8592432, 8) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)[C@@H]2CCCN2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(F)F)n1 |r| Show InChI InChI=1S/C31H37ClF2N6O4S/c1-18(2)44-26-16-21(20-10-13-40(14-11-20)29(41)24-8-6-12-35-24)19(3)15-25(26)38-31-36-17-22(32)28(39-31)37-23-7-4-5-9-27(23)45(42,43)30(33)34/h4-5,7,9,15-18,20,24,30,35H,6,8,10-14H2,1-3H3,(H2,36,37,38,39)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107056 (US8592432, 33) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)n[nH]c2c1 Show InChI InChI=1S/C32H41N5O3S/c1-19(2)40-30-18-25(23-11-13-33-14-12-23)21(5)15-27(30)34-24-16-28(32-22(6)36-37-29(32)17-24)35-26-9-7-8-10-31(26)41(38,39)20(3)4/h7-10,15-20,23,33-35H,11-14H2,1-6H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107098 (US8592432, 84) Show SMILES CCN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3[nH]nnc3n2)cc1C Show InChI InChI=1S/C30H40N8O3S/c1-7-38-14-12-21(13-15-38)22-17-25(41-18(2)3)24(16-20(22)6)32-30-33-28(27-29(34-30)36-37-35-27)31-23-10-8-9-11-26(23)42(39,40)19(4)5/h8-11,16-19,21H,7,12-15H2,1-6H3,(H3,31,32,33,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107054 (US8592432, 30) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CN2CCOCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C36H48N8O5S/c1-22(2)49-30-20-27(26-11-13-44(14-12-26)32(45)21-43-15-17-48-18-16-43)24(5)19-29(30)38-36-39-34(33-25(6)41-42-35(33)40-36)37-28-9-7-8-10-31(28)50(46,47)23(3)4/h7-10,19-20,22-23,26H,11-18,21H2,1-6H3,(H3,37,38,39,40,41,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107074 (US8592432, 60) Show SMILES COc1cc(C2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C31H41N7O5S2/c1-19(2)45(41,42)27-10-8-7-9-24(27)32-29-28-21(4)36-37-30(28)35-31(34-29)33-25-17-20(3)23(18-26(25)43-5)22-11-13-38(14-12-22)15-16-44(6,39)40/h7-10,17-19,22H,11-16H2,1-6H3,(H3,32,33,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107032 (US8592432, 6) Show SMILES CC(C)Oc1cc(C2CCN(C[C@H](O)C(F)(F)F)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r| Show InChI InChI=1S/C31H39ClF3N5O4S/c1-18(2)44-26-15-22(21-10-12-40(13-11-21)17-28(41)31(33,34)35)20(5)14-25(26)38-30-36-16-23(32)29(39-30)37-24-8-6-7-9-27(24)45(42,43)19(3)4/h6-9,14-16,18-19,21,28,41H,10-13,17H2,1-5H3,(H2,36,37,38,39)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107080 (US8592432, 66) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CCN2CCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 Show InChI InChI=1S/C36H48N8O4S/c1-22(2)48-30-21-27(26-12-18-44(19-13-26)32(45)14-17-43-15-9-16-43)24(5)20-29(30)38-36-39-34(33-25(6)41-42-35(33)40-36)37-28-10-7-8-11-31(28)49(46,47)23(3)4/h7-8,10-11,20-23,26H,9,12-19H2,1-6H3,(H3,37,38,39,40,41,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107097 (US8592432, 83) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2[nH]nnc2n1 Show InChI InChI=1S/C29H38N8O3S/c1-17(2)40-24-16-21(20-11-13-37(6)14-12-20)19(5)15-23(24)31-29-32-27(26-28(33-29)35-36-34-26)30-22-9-7-8-10-25(22)41(38,39)18(3)4/h7-10,15-18,20H,11-14H2,1-6H3,(H3,30,31,32,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107048 (US8592432, 23) Show SMILES COc1cc(C2CCN(C[C@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c[nH]nc2n1 |r| Show InChI InChI=1S/C30H36F3N7O4S/c1-17(2)45(42,43)25-8-6-5-7-22(25)35-27-21-15-34-39-28(21)38-29(37-27)36-23-13-18(3)20(14-24(23)44-4)19-9-11-40(12-10-19)16-26(41)30(31,32)33/h5-8,13-15,17,19,26,41H,9-12,16H2,1-4H3,(H3,34,35,36,37,38,39)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM107030 (US8592432, 3) Show SMILES CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(F)F)n1 Show InChI InChI=1S/C30H37ClF2N6O4S/c1-18(2)43-25-15-21(20-10-12-39(13-11-20)27(40)17-38(4)5)19(3)14-24(25)36-30-34-16-22(31)28(37-30)35-23-8-6-7-9-26(23)44(41,42)29(32)33/h6-9,14-16,18,20,29H,10-13,17H2,1-5H3,(H2,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair

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