Compile Data Set for Download or QSAR

Found 469 hits with Last Name = 'pei' and Initial = 'w'   

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))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin) after 60 mins				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of EML4-fused ALK (unknown origin) by cell-based assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50558033 (CHEMBL4762256) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NMP-ALK (unknown origin) expressed in human KARPAS-299 cells assessed as reduction in cell growth				Citation and Details Article DOI: 10.1016/j.bmcl.2015.11.049 BindingDB Entry DOI: 10.7270/Q2XS603J
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM482158 (BDBM50242742 | TAE684) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					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	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ALK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2015.11.049 BindingDB Entry DOI: 10.7270/Q2XS603J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438224 (CHEMBL2407759) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12 Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	BDBM50558029 (CHEMBL4762861) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)n[nH]c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ALK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2015.11.049 BindingDB Entry DOI: 10.7270/Q2XS603J
					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))	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))	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))	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/Nucleophosmin (Homo sapiens (Human))	BDBM50558033 (CHEMBL4762256) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-...				Citation and Details Article DOI: 10.1016/j.bmcl.2015.11.049 BindingDB Entry DOI: 10.7270/Q2XS603J
					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))	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))	BDBM50158419 (CHEMBL3734798) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(n1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-15(22)2-3-16(24)20(19)23)30-18-10-13(11-27-21(18)25)17-6-9-29(28-17)14-4-7-26-8-5-14/h2-3,6,9-12,14,26H,4-5,7-8H2,1H3,(H2,25,27)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
TBA					Assay Description Inhibition of ALK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2015.11.049 BindingDB Entry DOI: 10.7270/Q2XS603J
					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
Insulin receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of insulin receptor (unknown origin) after 60 mins				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50558029 (CHEMBL4762861) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)n[nH]c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NMP-ALK (unknown origin) expressed in human KARPAS-299 cells assessed as reduction in cell growth				Citation and Details Article DOI: 10.1016/j.bmcl.2015.11.049 BindingDB Entry DOI: 10.7270/Q2XS603J
					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))	BDBM50558033 (CHEMBL4762256) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ALK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2015.11.049 BindingDB Entry DOI: 10.7270/Q2XS603J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of IGF1 receptor (unknown origin) after 60 mins				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436863 (CHEMBL2403836) Show SMILES CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C30H40ClN5O4S/c1-19(2)40-27-17-23(22-10-12-36(13-11-22)14-15-37)21(5)16-26(27)34-30-32-18-24(31)29(35-30)33-25-8-6-7-9-28(25)41(38,39)20(3)4/h6-9,16-20,22,37H,10-15H2,1-5H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					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
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438223 (CHEMBL2407758) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (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 UniProtKB/SwissProt 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
TBA					Assay Description Inhibition EML4-ALK (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2015.11.049 BindingDB Entry DOI: 10.7270/Q2XS603J
					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))	BDBM50436862 (CHEMBL2403845) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1 Show InChI InChI=1S/C27H34ClN5O3S/c1-17(2)36-24-15-20(19-11-13-29-14-12-19)9-10-22(24)32-27-30-16-21(28)26(33-27)31-23-7-5-6-8-25(23)37(34,35)18(3)4/h5-10,15-19,29H,11-14H2,1-4H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					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))	BDBM50436861 (CHEMBL2403849) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C29H38ClN5O3S/c1-18(2)38-26-16-22(21-11-13-35(6)14-12-21)20(5)15-25(26)33-29-31-17-23(30)28(34-29)32-24-9-7-8-10-27(24)39(36,37)19(3)4/h7-10,15-19,21H,11-14H2,1-6H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					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))	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
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438224 (CHEMBL2407759) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12 Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	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
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438223 (CHEMBL2407758) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50558032 (CHEMBL4798141) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-...				Citation and Details Article DOI: 10.1016/j.bmcl.2015.11.049 BindingDB Entry DOI: 10.7270/Q2XS603J
					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))	BDBM50436860 (CHEMBL2403843) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C30H41N5O3S/c1-19(2)38-27-17-24(23-12-14-35(7)15-13-23)21(5)16-26(27)33-30-31-18-22(6)29(34-30)32-25-10-8-9-11-28(25)39(36,37)20(3)4/h8-11,16-20,23H,12-15H2,1-7H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436858 (CHEMBL2403848) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C)c(cc2OC2CCC2)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C29H36ClN5O3S/c1-18(2)39(36,37)27-10-5-4-9-24(27)33-28-23(30)17-32-29(35-28)34-25-15-19(3)22(20-11-13-31-14-12-20)16-26(25)38-21-7-6-8-21/h4-5,9-10,15-18,20-21,31H,6-8,11-14H2,1-3H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436859 (CHEMBL2403841) Show SMILES CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C30H39ClN6O4S/c1-18(2)41-26-15-22(21-10-12-37(13-11-21)17-28(32)38)20(5)14-25(26)35-30-33-16-23(31)29(36-30)34-24-8-6-7-9-27(24)42(39,40)19(3)4/h6-9,14-16,18-19,21H,10-13,17H2,1-5H3,(H2,32,38)(H2,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					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))	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
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438219 (CHEMBL2407761) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cn(C)c2cnccc12 Show InChI InChI=1S/C25H25N7O2/c1-15(33)31-7-4-17(5-8-31)32-13-16(10-29-32)20-11-28-25(26)24-19(20)9-23(34-24)21-14-30(2)22-12-27-6-3-18(21)22/h3,6,9-14,17H,4-5,7-8H2,1-2H3,(H2,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair

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