Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50007730   

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
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50512152 (CHEMBL4573193) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(N)=O)C1=O Show InChI InChI=1S/C25H28ClN7O5S/c1-15(2)39(36,37)21-7-5-4-6-19(21)29-23-17(26)13-28-24(31-23)30-18-9-8-16(12-20(18)38-3)33-11-10-32(25(33)35)14-22(27)34/h4-9,12-13,15H,10-11,14H2,1-3H3,(H2,27,34)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50512153 (CHEMBL4447747) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCN(C)CC2)C1=O Show InChI InChI=1S/C30H37ClN8O5S/c1-20(2)45(42,43)26-8-6-5-7-24(26)33-28-22(31)18-32-29(35-28)34-23-10-9-21(17-25(23)44-4)39-16-15-38(30(39)41)19-27(40)37-13-11-36(3)12-14-37/h5-10,17-18,20H,11-16,19H2,1-4H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512153 (CHEMBL4447747) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCN(C)CC2)C1=O Show InChI InChI=1S/C30H37ClN8O5S/c1-20(2)45(42,43)26-8-6-5-7-24(26)33-28-22(31)18-32-29(35-28)34-23-10-9-21(17-25(23)44-4)39-16-15-38(30(39)41)19-27(40)37-13-11-36(3)12-14-37/h5-10,17-18,20H,11-16,19H2,1-4H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512152 (CHEMBL4573193) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(N)=O)C1=O Show InChI InChI=1S/C25H28ClN7O5S/c1-15(2)39(36,37)21-7-5-4-6-19(21)29-23-17(26)13-28-24(31-23)30-18-9-8-16(12-20(18)38-3)33-11-10-32(25(33)35)14-22(27)34/h4-9,12-13,15H,10-11,14H2,1-3H3,(H2,27,34)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50512151 (CHEMBL4519408) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N(C)C)C1=O Show InChI InChI=1S/C27H32ClN7O5S/c1-17(2)41(38,39)23-9-7-6-8-21(23)30-25-19(28)15-29-26(32-25)31-20-11-10-18(14-22(20)40-5)35-13-12-34(27(35)37)16-24(36)33(3)4/h6-11,14-15,17H,12-13,16H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50512147 (CHEMBL4464571) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCC(=O)CC2)C1=O Show InChI InChI=1S/C30H34ClN7O6S/c1-19(2)45(42,43)26-7-5-4-6-24(26)33-28-22(31)17-32-29(35-28)34-23-9-8-20(16-25(23)44-3)38-15-14-37(30(38)41)18-27(40)36-12-10-21(39)11-13-36/h4-9,16-17,19H,10-15,18H2,1-3H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512153 (CHEMBL4447747) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCN(C)CC2)C1=O Show InChI InChI=1S/C30H37ClN8O5S/c1-20(2)45(42,43)26-8-6-5-7-24(26)33-28-22(31)18-32-29(35-28)34-23-10-9-21(17-25(23)44-4)39-16-15-38(30(39)41)19-27(40)37-13-11-36(3)12-14-37/h5-10,17-18,20H,11-16,19H2,1-4H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512152 (CHEMBL4573193) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(N)=O)C1=O Show InChI InChI=1S/C25H28ClN7O5S/c1-15(2)39(36,37)21-7-5-4-6-19(21)29-23-17(26)13-28-24(31-23)30-18-9-8-16(12-20(18)38-3)33-11-10-32(25(33)35)14-22(27)34/h4-9,12-13,15H,10-11,14H2,1-3H3,(H2,27,34)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512147 (CHEMBL4464571) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCC(=O)CC2)C1=O Show InChI InChI=1S/C30H34ClN7O6S/c1-19(2)45(42,43)26-7-5-4-6-24(26)33-28-22(31)17-32-29(35-28)34-23-9-8-20(16-25(23)44-3)38-15-14-37(30(38)41)18-27(40)36-12-10-21(39)11-13-36/h4-9,16-17,19H,10-15,18H2,1-3H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512151 (CHEMBL4519408) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N(C)C)C1=O Show InChI InChI=1S/C27H32ClN7O5S/c1-17(2)41(38,39)23-9-7-6-8-21(23)30-25-19(28)15-29-26(32-25)31-20-11-10-18(14-22(20)40-5)35-13-12-34(27(35)37)16-24(36)33(3)4/h6-11,14-15,17H,12-13,16H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512148 (CHEMBL4465558) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCNC1=O Show InChI InChI=1S/C23H25ClN6O4S/c1-14(2)35(32,33)20-7-5-4-6-18(20)27-21-16(24)13-26-22(29-21)28-17-9-8-15(12-19(17)34-3)30-11-10-25-23(30)31/h4-9,12-14H,10-11H2,1-3H3,(H,25,31)(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512150 (CHEMBL4466920) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCCN)C1=O Show InChI InChI=1S/C26H32ClN7O4S/c1-17(2)39(36,37)23-8-5-4-7-21(23)30-24-19(27)16-29-25(32-24)31-20-10-9-18(15-22(20)38-3)34-14-13-33(26(34)35)12-6-11-28/h4-5,7-10,15-17H,6,11-14,28H2,1-3H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512150 (CHEMBL4466920) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCCN)C1=O Show InChI InChI=1S/C26H32ClN7O4S/c1-17(2)39(36,37)23-8-5-4-7-21(23)30-24-19(27)16-29-25(32-24)31-20-10-9-18(15-22(20)38-3)34-14-13-33(26(34)35)12-6-11-28/h4-5,7-10,15-17H,6,11-14,28H2,1-3H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50512150 (CHEMBL4466920) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCCN)C1=O Show InChI InChI=1S/C26H32ClN7O4S/c1-17(2)39(36,37)23-8-5-4-7-21(23)30-24-19(27)16-29-25(32-24)31-20-10-9-18(15-22(20)38-3)34-14-13-33(26(34)35)12-6-11-28/h4-5,7-10,15-17H,6,11-14,28H2,1-3H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512147 (CHEMBL4464571) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCC(=O)CC2)C1=O Show InChI InChI=1S/C30H34ClN7O6S/c1-19(2)45(42,43)26-7-5-4-6-24(26)33-28-22(31)17-32-29(35-28)34-23-9-8-20(16-25(23)44-3)38-15-14-37(30(38)41)18-27(40)36-12-10-21(39)11-13-36/h4-9,16-17,19H,10-15,18H2,1-3H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512151 (CHEMBL4519408) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N(C)C)C1=O Show InChI InChI=1S/C27H32ClN7O5S/c1-17(2)41(38,39)23-9-7-6-8-21(23)30-25-19(28)15-29-26(32-25)31-20-11-10-18(14-22(20)40-5)35-13-12-34(27(35)37)16-24(36)33(3)4/h6-11,14-15,17H,12-13,16H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50512148 (CHEMBL4465558) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCNC1=O Show InChI InChI=1S/C23H25ClN6O4S/c1-14(2)35(32,33)20-7-5-4-6-18(20)27-21-16(24)13-26-22(29-21)28-17-9-8-15(12-19(17)34-3)30-11-10-25-23(30)31/h4-9,12-14H,10-11H2,1-3H3,(H,25,31)(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512148 (CHEMBL4465558) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCNC1=O Show InChI InChI=1S/C23H25ClN6O4S/c1-14(2)35(32,33)20-7-5-4-6-18(20)27-21-16(24)13-26-22(29-21)28-17-9-8-15(12-19(17)34-3)30-11-10-25-23(30)31/h4-9,12-14H,10-11H2,1-3H3,(H,25,31)(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512152 (CHEMBL4573193) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(N)=O)C1=O Show InChI InChI=1S/C25H28ClN7O5S/c1-15(2)39(36,37)21-7-5-4-6-19(21)29-23-17(26)13-28-24(31-23)30-18-9-8-16(12-20(18)38-3)33-11-10-32(25(33)35)14-22(27)34/h4-9,12-13,15H,10-11,14H2,1-3H3,(H2,27,34)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512153 (CHEMBL4447747) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCN(C)CC2)C1=O Show InChI InChI=1S/C30H37ClN8O5S/c1-20(2)45(42,43)26-8-6-5-7-24(26)33-28-22(31)18-32-29(35-28)34-23-10-9-21(17-25(23)44-4)39-16-15-38(30(39)41)19-27(40)37-13-11-36(3)12-14-37/h5-10,17-18,20H,11-16,19H2,1-4H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512150 (CHEMBL4466920) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCCN)C1=O Show InChI InChI=1S/C26H32ClN7O4S/c1-17(2)39(36,37)23-8-5-4-7-21(23)30-24-19(27)16-29-25(32-24)31-20-10-9-18(15-22(20)38-3)34-14-13-33(26(34)35)12-6-11-28/h4-5,7-10,15-17H,6,11-14,28H2,1-3H3,(H2,29,30,31,32)	PDB 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
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512147 (CHEMBL4464571) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCC(=O)CC2)C1=O Show InChI InChI=1S/C30H34ClN7O6S/c1-19(2)45(42,43)26-7-5-4-6-24(26)33-28-22(31)17-32-29(35-28)34-23-9-8-20(16-25(23)44-3)38-15-14-37(30(38)41)18-27(40)36-12-10-21(39)11-13-36/h4-9,16-17,19H,10-15,18H2,1-3H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512148 (CHEMBL4465558) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCNC1=O Show InChI InChI=1S/C23H25ClN6O4S/c1-14(2)35(32,33)20-7-5-4-6-18(20)27-21-16(24)13-26-22(29-21)28-17-9-8-15(12-19(17)34-3)30-11-10-25-23(30)31/h4-9,12-14H,10-11H2,1-3H3,(H,25,31)(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50512151 (CHEMBL4519408) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N(C)C)C1=O Show InChI InChI=1S/C27H32ClN7O5S/c1-17(2)41(38,39)23-9-7-6-8-21(23)30-25-19(28)15-29-26(32-25)31-20-11-10-18(14-22(20)40-5)35-13-12-34(27(35)37)16-24(36)33(3)4/h6-11,14-15,17H,12-13,16H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human IGF1R cytoplasmic domain (959 to 1367 residues) expressed in baculovirus expression system using IRS1 as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					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	117	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human c-MET cytoplasmic domain (956 to 1390 residues) expressed in Baculovirus expression system using srctide as...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	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	417	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged full length human CDK4 (1 to 303 residues) expressed in Baculovirus expression system using DYRKtide F as substra...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1/2/3/4 (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	573	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FGFR (unknown origin) incubated for 1 hr by mobility shift assay				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50512151 (CHEMBL4519408) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N(C)C)C1=O Show InChI InChI=1S/C27H32ClN7O5S/c1-17(2)41(38,39)23-9-7-6-8-21(23)30-25-19(28)15-29-26(32-25)31-20-11-10-18(14-22(20)40-5)35-13-12-34(27(35)37)16-24(36)33(3)4/h6-11,14-15,17H,12-13,16H2,1-5H3,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	598	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Epidermal growth factor 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 MMDB 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	681	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50512148 (CHEMBL4465558) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCNC1=O Show InChI InChI=1S/C23H25ClN6O4S/c1-14(2)35(32,33)20-7-5-4-6-18(20)27-21-16(24)13-26-22(29-21)28-17-9-8-15(12-19(17)34-3)30-11-10-25-23(30)31/h4-9,12-14H,10-11H2,1-3H3,(H,25,31)(H2,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	765	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50512153 (CHEMBL4447747) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCN(C)CC2)C1=O Show InChI InChI=1S/C30H37ClN8O5S/c1-20(2)45(42,43)26-8-6-5-7-24(26)33-28-22(31)18-32-29(35-28)34-23-10-9-21(17-25(23)44-4)39-16-15-38(30(39)41)19-27(40)37-13-11-36(3)12-14-37/h5-10,17-18,20H,11-16,19H2,1-4H3,(H2,32,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system usi...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK2 catalytic domain (826 to 1132 residues) expressed in Baculovirus expression system using srctide as su...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus expression system using CSKtide as s...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50512149 (CHEMBL4470529) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCN(C)C)C1=O Show InChI InChI=1S/C27H34ClN7O4S/c1-18(2)40(37,38)24-9-7-6-8-22(24)30-25-20(28)17-29-26(32-25)31-21-11-10-19(16-23(21)39-5)35-15-14-34(27(35)36)13-12-33(3)4/h6-11,16-18H,12-15H2,1-5H3,(H2,29,30,31,32)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged full length human BTK (2 to 659 residues) expressed in Baculovirus expression system using srctide as substrate i...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50512147 (CHEMBL4464571) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(=O)N2CCC(=O)CC2)C1=O Show InChI InChI=1S/C30H34ClN7O6S/c1-19(2)45(42,43)26-7-5-4-6-24(26)33-28-22(31)17-32-29(35-28)34-23-9-8-20(16-25(23)44-3)38-15-14-37(30(38)41)18-27(40)36-12-10-21(39)11-13-36/h4-9,16-17,19H,10-15,18H2,1-3H3,(H2,32,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50512152 (CHEMBL4573193) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CC(N)=O)C1=O Show InChI InChI=1S/C25H28ClN7O5S/c1-15(2)39(36,37)21-7-5-4-6-19(21)29-23-17(26)13-28-24(31-23)30-18-9-8-16(12-20(18)38-3)33-11-10-32(25(33)35)14-22(27)34/h4-9,12-13,15H,10-11,14H2,1-3H3,(H2,27,34)(H2,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in Baculovirus expression system using srctide as ...				Eur J Med Chem 171: 297-309 (2019) Article DOI: 10.1016/j.ejmech.2019.03.038 BindingDB Entry DOI: 10.7270/Q28G8Q13
					More data for this Ligand-Target Pair

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