Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'bahcall' and Initial = 'm'   

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/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50499105 (CHEMBL3735401) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 Show InChI InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520595 (CHEMBL4565984) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35FN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520584 (CHEMBL4448107) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36FN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520593 (CHEMBL4520341) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H35ClN7O3P/c1-8-25(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)39(6,7)37/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,36)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520584 (CHEMBL4448107) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36FN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520585 (CHEMBL4581316) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H35IN7O3P/c1-8-25(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)39(6,7)37/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,36)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human BTK cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50500352 (CHEMBL3746665 | US11066363, Compound 17) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H32N4O/c1-6-18-14-21-22(15-24(18)32-11-9-19(10-12-32)31(4)5)28(2,3)27-25(26(21)33)20-8-7-17(16-29)13-23(20)30-27/h7-8,13-15,19,30H,6,9-12H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50500351 (CHEMBL3746960 | US11066363, Compound 19) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C26H28N4O/c1-5-17-13-19-20(14-22(17)30-10-8-29(4)9-11-30)26(2,3)25-23(24(19)31)18-7-6-16(15-27)12-21(18)28-25/h6-7,12-14,28H,5,8-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50500350 (CHEMBL3746678) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RET (unknown origin)				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fer (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST/His-tagged human FER catalytic domain expressed in baculovirus expression system by Z-LYTE assay				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human ROS1 cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520588 (CHEMBL4449391) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35ClN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50500357 (CHEMBL3746522 | US11066363, Compound 31) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCN(C)C)c1 Show InChI InChI=1S/C28H29N5O/c1-6-18-12-22-23(13-21(18)19-15-30-33(16-19)10-9-32(4)5)28(2,3)27-25(26(22)34)20-8-7-17(14-29)11-24(20)31-27/h7-8,11-13,15-16,31H,6,9-10H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520596 (CHEMBL4558227) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H35FN7O3P/c1-8-25(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)39(6,7)37/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,36)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520591 (CHEMBL4467561) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35IN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50499105 (CHEMBL3735401) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 Show InChI InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of RET (unknown origin)				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human ErbB4 cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520595 (CHEMBL4565984) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35FN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520587 (CHEMBL4540442) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H36N8O4S/c1-8-26(36)30-20-17-21(23(39-7)18-22(20)35(6)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)40(37,38)34(4)5/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,36)(H2,28,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50500350 (CHEMBL3746678) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CLK4 (unknown origin)				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520588 (CHEMBL4449391) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35ClN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Leukocyte tyrosine kinase receptor (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human LTK cytoplasmic domain (440 to 864 residues) expressed in baculovirus expression system by Z-LYTE assay				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50062357 (AP26113 | CHEMBL3397300) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50383274 (CHEMBL1229592 | US10167264, WZ4002 | US9670213, WZ...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520591 (CHEMBL4467561) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H35IN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)	PDB MMDB 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520594 (CHEMBL4465103) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H36N7O3P/c1-8-26(35)30-20-17-21(23(37-5)18-22(20)34(4)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)38(6,7)36/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,35)(H2,28,29,31,32)	PDB MMDB 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520596 (CHEMBL4558227) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(F)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H35FN7O3P/c1-8-25(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)39(6,7)37/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,36)(H2,29,31,32,33)	PDB MMDB 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50500354 (CHEMBL3747267) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(c1)C(C)(C)C(=O)N(C)C Show InChI InChI=1S/C30H31N5O2/c1-8-18-12-22-23(13-21(18)19-15-32-35(16-19)30(4,5)28(37)34(6)7)29(2,3)27-25(26(22)36)20-10-9-17(14-31)11-24(20)33-27/h9-13,15-16,33H,8H2,1-7H3	PDB UniProtKB/SwissProt 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
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520585 (CHEMBL4581316) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H35IN7O3P/c1-8-25(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)39(6,7)37/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,36)(H2,29,31,32,33)	PDB MMDB 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human InsR (1011 to 1382 residues) expressed in baculovirus expression system by Z-LYTE assay				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	Reactome pathway KEGG UniProtKB/SwissProt 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human Blk cytoplasmic domain expressed in Baculovirus expression system by Z-LYTE assay				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520586 (CHEMBL4531697) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36IN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T ...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50500350 (CHEMBL3746678) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ret V804L (unknown origin)				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50453141 (CHEMBL4217325) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCOCCOCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1 Show InChI InChI=1S/C45H53ClN10O10S/c1-28(2)67(62,63)37-10-5-4-8-33(37)50-41-31(46)26-49-45(53-41)51-32-12-11-29(25-36(32)64-3)55-18-16-54(17-19-55)20-22-66-24-23-65-21-15-47-39(58)27-48-34-9-6-7-30-40(34)44(61)56(43(30)60)35-13-14-38(57)52-42(35)59/h4-12,25-26,28,35,48H,13-24,27H2,1-3H3,(H,47,58)(H,52,57,59)(H2,49,50,51,53)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Induction of ALK degradation in human NCI-H3122 cells after 16 hrs by immunoblot method				J Med Chem 61: 4249-4255 (2018) Article DOI: 10.1021/acs.jmedchem.7b01655 BindingDB Entry DOI: 10.7270/Q2XS5XZJ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50453140 (CHEMBL4213986) Show SMILES CC(C)Oc1cc(C2CCN(CCOCCOCCNC(=O)CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C49H60ClN9O10S/c1-29(2)69-40-26-34(31(5)25-38(40)55-49-53-27-35(50)45(57-49)54-36-10-6-7-12-41(36)70(65,66)30(3)4)32-15-18-58(19-16-32)20-22-68-24-23-67-21-17-51-43(61)28-52-37-11-8-9-33-44(37)48(64)59(47(33)63)39-13-14-42(60)56-46(39)62/h6-12,25-27,29-30,32,39,52H,13-24,28H2,1-5H3,(H,51,61)(H,56,60,62)(H2,53,54,55,57)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Induction of ALK degradation in human NCI-H3122 cells after 16 hrs by immunoblot method				J Med Chem 61: 4249-4255 (2018) Article DOI: 10.1021/acs.jmedchem.7b01655 BindingDB Entry DOI: 10.7270/Q2XS5XZJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50499105 (CHEMBL3735401) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 Show InChI InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ret V804M (unknown origin)				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520587 (CHEMBL4540442) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(Nc2ccccc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C27H36N8O4S/c1-8-26(36)30-20-17-21(23(39-7)18-22(20)35(6)16-15-33(2)3)31-27-28-14-13-25(32-27)29-19-11-9-10-12-24(19)40(37,38)34(4)5/h8-14,17-18H,1,15-16H2,2-7H3,(H,30,36)(H2,28,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50520593 (CHEMBL4520341) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Show InChI InChI=1S/C27H35ClN7O3P/c1-8-25(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)39(6,7)37/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,36)(H2,29,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system us...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM50520589 (CHEMBL4473365) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN7O4S/c1-8-26(37)31-21-15-22(24(40-7)16-23(21)36(6)14-13-35(4)5)33-28-30-17-19(29)27(34-28)32-20-11-9-10-12-25(20)41(38,39)18(2)3/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H2,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human TNK2 catalytic/cytoplasmic domain (110 to 476 residues) expressed in baculovirus expression system by Lant...				Eur J Med Chem 136: 497-510 (2017) Article DOI: 10.1016/j.ejmech.2017.04.079 BindingDB Entry DOI: 10.7270/Q2WH2TCG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50499105 (CHEMBL3735401) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 Show InChI InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Ret V804L (unknown origin)				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50500350 (CHEMBL3746678) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50499105 (CHEMBL3735401) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 Show InChI InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CLK4 (unknown origin)				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (Homo sapiens (Human))	BDBM50499105 (CHEMBL3735401) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 Show InChI InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of IRAK1 (unknown origin)				J Med Chem 58: 9296-9308 (2015) Article DOI: 10.1021/acs.jmedchem.5b01136 BindingDB Entry DOI: 10.7270/Q2BC42J1
					More data for this Ligand-Target Pair

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