Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50043888   

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/Nucleophosmin (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	56	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50448037 (CHEMBL3115500) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2nc3cncc(-c4ccc(cc4)N4CCN(C)CC4)n3c2c1 Show InChI InChI=1S/C32H35N7/c1-35-13-17-37(18-14-35)27-8-3-24(4-9-27)26-7-12-29-30(21-26)39-31(22-33-23-32(39)34-29)25-5-10-28(11-6-25)38-19-15-36(2)16-20-38/h3-12,21-23H,13-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448048 (CHEMBL3115504) Show SMILES COc1ccc(cc1)-c1ccc2nc3cncc(\C=C\c4ccccc4)n3c2c1 Show InChI InChI=1S/C25H19N3O/c1-29-22-12-8-19(9-13-22)20-10-14-23-24(15-20)28-21(16-26-17-25(28)27-23)11-7-18-5-3-2-4-6-18/h2-17H,1H3/b11-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50448048 (CHEMBL3115504) Show SMILES COc1ccc(cc1)-c1ccc2nc3cncc(\C=C\c4ccccc4)n3c2c1 Show InChI InChI=1S/C25H19N3O/c1-29-22-12-8-19(9-13-22)20-10-14-23-24(15-20)28-21(16-26-17-25(28)27-23)11-7-18-5-3-2-4-6-18/h2-17H,1H3/b11-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50448035 (CHEMBL3115499) Show SMILES Clc1cncc2nc3ccc(Br)cc3n12 Show InChI InChI=1S/C10H5BrClN3/c11-6-1-2-7-8(3-6)15-9(12)4-13-5-10(15)14-7/h1-5H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448047 (CHEMBL3115503) Show SMILES COc1ccc(cc1)-c1cncc2nc3ccc(\C=C\c4ccccc4)cc3n12 Show InChI InChI=1S/C25H19N3O/c1-29-21-12-10-20(11-13-21)24-16-26-17-25-27-22-14-9-19(15-23(22)28(24)25)8-7-18-5-3-2-4-6-18/h2-17H,1H3/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50448040 (CHEMBL3115496) Show SMILES Brc1ccc2nc3cc(Nc4ccccc4)ncn3c2c1 Show InChI InChI=1S/C16H11BrN4/c17-11-6-7-13-14(8-11)21-10-18-15(9-16(21)20-13)19-12-4-2-1-3-5-12/h1-10,19H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448044 (CHEMBL3115497) Show SMILES COc1ccc(cc1)-c1cc2nc3ccc(Br)cc3n2cn1 Show InChI InChI=1S/C17H12BrN3O/c1-22-13-5-2-11(3-6-13)15-9-17-20-14-7-4-12(18)8-16(14)21(17)10-19-15/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448046 (CHEMBL3115493) Show SMILES [O-][N+](=O)c1cccc(Nc2cc3nc4ccccc4n3cn2)c1 Show InChI InChI=1S/C16H11N5O2/c22-21(23)12-5-3-4-11(8-12)18-15-9-16-19-13-6-1-2-7-14(13)20(16)10-17-15/h1-10,18H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448045 (CHEMBL3115502) Show SMILES COc1ccc(cc1)-c1cncc2nc3ccc(cc3n12)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C28H27N5O/c1-31-13-15-32(16-14-31)23-8-3-20(4-9-23)22-7-12-25-26(17-22)33-27(18-29-19-28(33)30-25)21-5-10-24(34-2)11-6-21/h3-12,17-19H,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Nucleophosmin (Homo sapiens (Human))	BDBM50448044 (CHEMBL3115497) Show SMILES COc1ccc(cc1)-c1cc2nc3ccc(Br)cc3n2cn1 Show InChI InChI=1S/C17H12BrN3O/c1-22-13-5-2-11(3-6-13)15-9-17-20-14-7-4-12(18)8-16(14)21(17)10-19-15/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448043 (CHEMBL3115501) Show SMILES COc1ccc(cc1)-c1cncc2nc3ccc(cc3n12)-c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C25H20N4O2/c1-16(30)27-20-8-3-17(4-9-20)19-7-12-22-23(13-19)29-24(14-26-15-25(29)28-22)18-5-10-21(31-2)11-6-18/h3-15H,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448035 (CHEMBL3115499) Show SMILES Clc1cncc2nc3ccc(Br)cc3n12 Show InChI InChI=1S/C10H5BrClN3/c11-6-1-2-7-8(3-6)15-9(12)4-13-5-10(15)14-7/h1-5H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448036 (CHEMBL3115495) Show SMILES Clc1cc2nc3ccc(Br)cc3n2cn1 Show InChI InChI=1S/C10H5BrClN3/c11-6-1-2-7-8(3-6)15-5-13-9(12)4-10(15)14-7/h1-5H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448042 (CHEMBL3115494) Show SMILES COc1cccc(Nc2cc3nc4ccccc4n3cn2)c1 Show InChI InChI=1S/C17H14N4O/c1-22-13-6-4-5-12(9-13)19-16-10-17-20-14-7-2-3-8-15(14)21(17)11-18-16/h2-11,19H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448041 (CHEMBL3115492) Show SMILES N(c1ccccc1)c1cc2nc3ccccc3n2cn1 Show InChI InChI=1S/C16H12N4/c1-2-6-12(7-3-1)18-15-10-16-19-13-8-4-5-9-14(13)20(16)11-17-15/h1-11,18H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448040 (CHEMBL3115496) Show SMILES Brc1ccc2nc3cc(Nc4ccccc4)ncn3c2c1 Show InChI InChI=1S/C16H11BrN4/c17-11-6-7-13-14(8-11)21-10-18-15(9-16(21)20-13)19-12-4-2-1-3-5-12/h1-10,19H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448038 (CHEMBL3115498) Show SMILES Clc1cncc2nc3ccccc3n12 Show InChI InChI=1S/C10H6ClN3/c11-9-5-12-6-10-13-7-3-1-2-4-8(7)14(9)10/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448037 (CHEMBL3115500) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2nc3cncc(-c4ccc(cc4)N4CCN(C)CC4)n3c2c1 Show InChI InChI=1S/C32H35N7/c1-35-13-17-37(18-14-35)27-8-3-24(4-9-27)26-7-12-29-30(21-26)39-31(22-33-23-32(39)34-29)25-5-10-28(11-6-25)38-19-15-36(2)16-20-38/h3-12,21-23H,13-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448039 (CHEMBL3115491) Show SMILES Clc1cc2nc3ccccc3n2cn1 Show InChI InChI=1S/C10H6ClN3/c11-9-5-10-13-7-3-1-2-4-8(7)14(10)6-12-9/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	575	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using...				Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q
					More data for this Ligand-Target Pair				3D Structure (crystal)