Compile Data Set for Download or QSAR

Found 361 hits with Last Name = 'quail' and Initial = 'mr'   

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))	BDBM50385593 (CHEMBL2042694) Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50193810 (CHEMBL3972653) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193812 (CHEMBL3908493) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-4-2-3-19(35-9-11-38-12-10-35)14-16(20)7-8-22(25)32-28-31-15-21(29)27(34-28)33-24-18-6-5-17(13-18)23(24)26(30)36/h5-8,15,17-19,23-24H,2-4,9-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19-,23+,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389154 (CHEMBL2064666) Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16| Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193823 (CHEMBL3934268) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50193811 (CHEMBL3951811) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50193807 (CHEMBL3961771) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193813 (CHEMBL3934099) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H37ClN8O2/c1-42-29-24-7-4-6-23(39-16-14-38(15-17-39)18-19-41)20-22(24)10-11-27(29)36-31-33-21-25(32)30(37-31)35-26-8-2-3-9-28(26)40-13-5-12-34-40/h2-3,5,8-13,21,23,41H,4,6-7,14-20H2,1H3,(H2,33,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193807 (CHEMBL3961771) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1 Show InChI InChI=1S/C29H38ClN7O3S/c1-35-14-16-37(17-15-35)21-8-7-9-22-20(18-21)12-13-25(27(22)40-3)33-29-31-19-23(30)28(34-29)32-24-10-5-6-11-26(24)36(2)41(4,38)39/h5-6,10-13,19,21H,7-9,14-18H2,1-4H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50193823 (CHEMBL3934268) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(43(3,40)41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-2)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(H2,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385602 (CHEMBL2042983) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50393620 (CHEMBL2158531) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1 |r| Show InChI InChI=1S/C28H33N5O4/c1-36-26-6-4-3-5-23(26)25-10-8-21-16-29-28(31-33(21)25)30-24-9-7-20(15-27(24)37-2)19-11-13-32(14-12-19)17-22(35)18-34/h3-10,15-16,19,22,34-35H,11-14,17-18H2,1-2H3,(H,30,31)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50347070 (CHEMBL1796257) Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1 |r| Show InChI InChI=1S/C26H39ClN6O4S/c1-32(38(4,34)35)23-8-6-5-7-21(23)29-25-20(27)17-28-26(31-25)30-22-15-18-9-11-33(13-14-36-2)12-10-19(18)16-24(22)37-3/h15-17,21,23H,5-14H2,1-4H3,(H2,28,29,30,31)/t21-,23-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 3877-80 (2011) Article DOI: 10.1016/j.bmcl.2011.05.040 BindingDB Entry DOI: 10.7270/Q2F76CX0
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50393619 (CHEMBL2158530) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(O)CF)CC1 Show InChI InChI=1S/C28H32FN5O3/c1-36-26-6-4-3-5-23(26)25-10-8-21-17-30-28(32-34(21)25)31-24-9-7-20(15-27(24)37-2)19-11-13-33(14-12-19)18-22(35)16-29/h3-10,15,17,19,22,35H,11-14,16,18H2,1-2H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50193809 (CHEMBL3890564) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193811 (CHEMBL3951811) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193809 (CHEMBL3890564) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50393618 (CHEMBL2158528) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H33N5O3/c1-19(34)18-32-14-12-20(13-15-32)21-8-10-24(27(16-21)36-3)30-28-29-17-22-9-11-25(33(22)31-28)23-6-4-5-7-26(23)35-2/h4-11,16-17,19-20,34H,12-15,18H2,1-3H3,(H,30,31)/t19-/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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50193818 (CHEMBL3925372) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(H2,33,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50353042 (CHEMBL1822521) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334595 (5-chloro-N2,N4-bis(2-methoxy-4-morpholinophenyl)py...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1)N1CCOCC1 Show InChI InChI=1S/C26H31ClN6O4/c1-34-23-15-18(32-7-11-36-12-8-32)3-5-21(23)29-25-20(27)17-28-26(31-25)30-22-6-4-19(16-24(22)35-2)33-9-13-37-14-10-33/h3-6,15-17H,7-14H2,1-2H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334604 (2-(7-(5-chloro-4-(2-methoxy-4-(2-methoxyethoxy)phe...) Show SMILES COCCOc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1 Show InChI InChI=1S/C29H37ClN6O5/c1-35(2)27(37)18-36-10-8-19-14-24(25(39-4)15-20(19)9-11-36)33-29-31-17-22(30)28(34-29)32-23-7-6-21(16-26(23)40-5)41-13-12-38-3/h6-7,14-17H,8-13,18H2,1-5H3,(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	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334601 (2-(7-(5-chloro-4-(2-methoxyphenylamino)pyrimidin-2...) Show SMILES COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl Show InChI InChI=1S/C26H31ClN6O3/c1-32(2)24(34)16-33-11-9-17-13-21(23(36-4)14-18(17)10-12-33)30-26-28-15-19(27)25(31-26)29-20-7-5-6-8-22(20)35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334593 (2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(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	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385591 (CHEMBL2042981) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193817 (CHEMBL3918616) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C30H40ClN7O4S/c1-36(2)43(40,41)27-10-5-4-9-25(27)33-29-24(31)20-32-30(35-29)34-26-12-11-21-19-22(7-6-8-23(21)28(26)42-3)38-15-13-37(14-16-38)17-18-39/h4-5,9-12,20,22,39H,6-8,13-19H2,1-3H3,(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	4	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50193824 (CHEMBL3961598) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50393617 (CHEMBL2158519) Show SMILES COc1cc(ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C28H32ClN7O4S/c1-34(41(3,38)39)23-7-5-4-6-20(23)24-15-21(29)25-16-31-28(33-36(24)25)32-22-9-8-19(14-26(22)40-2)18-10-12-35(13-11-18)17-27(30)37/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,37)(H,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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334606 (2-(7-(5-chloro-4-(2,4-dimethoxyphenylamino)pyrimid...) Show SMILES COc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1 Show InChI InChI=1S/C27H33ClN6O4/c1-33(2)25(35)16-34-10-8-17-12-22(23(37-4)13-18(17)9-11-34)31-27-29-15-20(28)26(32-27)30-21-7-6-19(36-3)14-24(21)38-5/h6-7,12-15H,8-11,16H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50353041 (CHEMBL1822520) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385598 (CHEMBL2042828) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385601 (CHEMBL2042982) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193824 (CHEMBL3961598) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193810 (CHEMBL3972653) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193822 (CHEMBL3972807) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21+,25+,26-/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	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334603 (2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...) Show SMILES CNC(=O)CN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1 Show InChI InChI=1S/C29H36ClN7O4/c1-31-27(38)18-36-8-6-19-14-24(25(39-2)15-20(19)7-9-36)34-29-32-17-22(30)28(35-29)33-23-5-4-21(16-26(23)40-3)37-10-12-41-13-11-37/h4-5,14-17H,6-13,18H2,1-3H3,(H,31,38)(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	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334602 (4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...) Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1 Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(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	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50347053 (CHEMBL1796254) Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)c(OC)cc2CC1 |r| Show InChI InChI=1S/C25H37ClN6O4S/c1-35-13-12-32-10-8-17-14-22(23(36-2)15-18(17)9-11-32)29-25-27-16-19(26)24(30-25)28-20-6-4-5-7-21(20)31-37(3,33)34/h14-16,20-21,31H,4-13H2,1-3H3,(H2,27,28,29,30)/t20-,21-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 3877-80 (2011) Article DOI: 10.1016/j.bmcl.2011.05.040 BindingDB Entry DOI: 10.7270/Q2F76CX0
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50393613 (CHEMBL2158518) Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C29H35N7O4S/c1-19-15-25(22-7-5-6-8-24(22)34(2)41(4,38)39)36-26(19)17-31-29(33-36)32-23-10-9-21(16-27(23)40-3)20-11-13-35(14-12-20)18-28(30)37/h5-10,15-17,20H,11-14,18H2,1-4H3,(H2,30,37)(H,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	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50361205 (CHEMBL1934334) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C27H30N6O3/c1-35-24-6-4-3-5-21(24)23-10-8-20-16-29-27(31-33(20)23)30-22-9-7-19(15-25(22)36-2)18-11-13-32(14-12-18)17-26(28)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H2,28,34)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50393614 (CHEMBL2158529) Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nn12 Show InChI InChI=1S/C26H29N5O2/c1-30-14-12-18(13-15-30)19-8-10-22(25(16-19)33-3)28-26-27-17-20-9-11-23(31(20)29-26)21-6-4-5-7-24(21)32-2/h4-11,16-18H,12-15H2,1-3H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50393615 (CHEMBL2158526) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C29H36N6O4S/c1-20(36)19-34-15-13-21(14-16-34)22-9-11-25(28(17-22)39-3)31-29-30-18-23-10-12-27(35(23)32-29)24-7-5-6-8-26(24)33(2)40(4,37)38/h5-12,17-18,20-21,36H,13-16,19H2,1-4H3,(H,31,32)/t20-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50393616 (CHEMBL2158525) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CCO)CC1 Show InChI InChI=1S/C28H34N6O4S/c1-32(39(3,36)37)25-7-5-4-6-23(25)26-11-9-22-19-29-28(31-34(22)26)30-24-10-8-21(18-27(24)38-2)20-12-14-33(15-13-20)16-17-35/h4-11,18-20,35H,12-17H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...				J Med Chem 55: 115-25 (2012) Article DOI: 10.1021/jm2010767 BindingDB Entry DOI: 10.7270/Q2G73FV3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193818 (CHEMBL3925372) Show SMILES COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C31H40ClN7O4S/c1-43-29-24-7-4-6-23(38-15-13-37(14-16-38)17-18-40)20-22(24)10-11-27(29)35-31-33-21-25(32)30(36-31)34-26-8-2-3-9-28(26)39-12-5-19-44(39,41)42/h2-3,8-11,21,23,40H,4-7,12-20H2,1H3,(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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50193815 (CHEMBL3943236) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C30H40ClN7O3/c1-41-27-22-4-2-3-21(38-11-9-37(10-12-38)13-14-39)16-18(22)7-8-24(27)34-30-33-17-23(31)29(36-30)35-26-20-6-5-19(15-20)25(26)28(32)40/h5-8,17,19-21,25-26,39H,2-4,9-16H2,1H3,(H2,32,40)(H2,33,34,35,36)/t19-,20+,21-,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50193814 (CHEMBL3980825) Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5| Show InChI InChI=1S/C29H38ClN7O2/c1-36-10-12-37(13-11-36)20-4-3-5-21-17(15-20)8-9-23(26(21)39-2)33-29-32-16-22(30)28(35-29)34-25-19-7-6-18(14-19)24(25)27(31)38/h6-9,16,18-20,24-25H,3-5,10-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20-,24+,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL					Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay				J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334597 (5-chloro-N2-(8-methoxy-3-(2-methoxyethyl)-2,3,4,5-...) Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1 Show InChI InChI=1S/C29H37ClN6O4/c1-37-13-10-35-8-6-20-16-25(26(38-2)17-21(20)7-9-35)33-29-31-19-23(30)28(34-29)32-24-5-4-22(18-27(24)39-3)36-11-14-40-15-12-36/h4-5,16-19H,6-15H2,1-3H3,(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	7	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334605 (2-(7-(5-chloro-4-(4-cyano-2-methoxyphenylamino)pyr...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)C#N Show InChI InChI=1S/C27H30ClN7O3/c1-34(2)25(36)16-35-9-7-18-12-22(24(38-4)13-19(18)8-10-35)32-27-30-15-20(28)26(33-27)31-21-6-5-17(14-29)11-23(21)37-3/h5-6,11-13,15H,7-10,16H2,1-4H3,(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	7	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50353048 (CHEMBL1822527) Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H37N7O4S/c1-34(42(3,38)39)27-7-5-4-6-25(27)28-11-9-24-21-31-30(33-37(24)28)32-26-10-8-23(20-29(26)40-2)35-14-12-22(13-15-35)36-16-18-41-19-17-36/h4-11,20-22H,12-19H2,1-3H3,(H,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	7	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
					More data for this Ligand-Target Pair

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