Compile Data Set for Download or QSAR

Found 428 hits with Last Name = 'cao' 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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50540865 (CHEMBL4640012) Show SMILES CCn1cc(NC(=O)OCc2cc(Cl)cc(Cl)c2)c2cc(ccc12)-c1nc(CN2CCN(CCO)CC2)cs1 Show InChI InChI=1S/C28H31Cl2N5O3S/c1-2-35-16-25(32-28(37)38-17-19-11-21(29)14-22(30)12-19)24-13-20(3-4-26(24)35)27-31-23(18-39-27)15-34-7-5-33(6-8-34)9-10-36/h3-4,11-14,16,18,36H,2,5-10,15,17H2,1H3,(H,32,37)	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 human ATX pre-incubated for 45 mins before fluorogenic substrate-3 addition and measured every minute for 30 mins by fluorescence based...				J Med Chem 63: 7326-7346 (2020) Article DOI: 10.1021/acs.jmedchem.0c00506 BindingDB Entry DOI: 10.7270/Q2GM8BW0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50525830 (CHEMBL4562805) Show SMILES COc1cc(NC(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C24H26ClN7O4/c1-15(33)27-18-5-3-4-6-19(18)29-22-17(25)14-26-23(31-22)30-20-8-7-16(13-21(20)35-2)28-24(34)32-9-11-36-12-10-32/h3-8,13-14H,9-12H2,1-2H3,(H,27,33)(H,28,34)(H2,26,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525830 (CHEMBL4562805) Show SMILES COc1cc(NC(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C24H26ClN7O4/c1-15(33)27-18-5-3-4-6-19(18)29-22-17(25)14-26-23(31-22)30-20-8-7-16(13-21(20)35-2)28-24(34)32-9-11-36-12-10-32/h3-8,13-14H,9-12H2,1-2H3,(H,27,33)(H,28,34)(H2,26,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain L1196M mutant expressed in baculovirus expressio...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50525834 (CHEMBL4448400) Show SMILES COc1cc(NC(=O)N2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C24H26ClN7O3/c1-15(33)27-18-7-3-4-8-19(18)29-22-17(25)14-26-23(31-22)30-20-10-9-16(13-21(20)35-2)28-24(34)32-11-5-6-12-32/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,27,33)(H,28,34)(H2,26,29,30,31)	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 recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50540872 (CHEMBL4647222) Show SMILES CCn1cc(NC(=O)OCc2ccc(F)c(F)c2)c2cc(ccc12)-c1nc(CN2CCC(O)CC2)cs1 Show InChI InChI=1S/C27H28F2N4O3S/c1-2-33-14-24(31-27(35)36-15-17-3-5-22(28)23(29)11-17)21-12-18(4-6-25(21)33)26-30-19(16-37-26)13-32-9-7-20(34)8-10-32/h3-6,11-12,14,16,20,34H,2,7-10,13,15H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human ATX pre-incubated for 45 mins before fluorogenic substrate-3 addition and measured every minute for 30 mins by fluorescence based...				J Med Chem 63: 7326-7346 (2020) Article DOI: 10.1021/acs.jmedchem.0c00506 BindingDB Entry DOI: 10.7270/Q2GM8BW0
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50187686 (CHEMBL3828074 | US10526329, Compound 2 | US1107261...) Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human ATX pre-incubated for 45 mins before fluorogenic substrate-3 addition and measured every minute for 30 mins by fluorescence based...				J Med Chem 63: 7326-7346 (2020) Article DOI: 10.1021/acs.jmedchem.0c00506 BindingDB Entry DOI: 10.7270/Q2GM8BW0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50525831 (CHEMBL4468370) Show SMILES COc1cc(NC(=O)N2CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H31ClN8O4/c1-17(37)29-20-5-3-4-6-21(20)31-24-19(27)16-28-25(33-24)32-22-8-7-18(15-23(22)39-2)30-26(38)35-11-9-34(10-12-35)13-14-36/h3-8,15-16,36H,9-14H2,1-2H3,(H,29,37)(H,30,38)(H2,28,31,32,33)	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 recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50547671 (CHEMBL4778125) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)-n1cccc1C(=O)NCCO Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type ALK (unknown origin) incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.bmc.2020.115715 BindingDB Entry DOI: 10.7270/Q2J38X52
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525830 (CHEMBL4562805) Show SMILES COc1cc(NC(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C24H26ClN7O4/c1-15(33)27-18-5-3-4-6-19(18)29-22-17(25)14-26-23(31-22)30-20-8-7-16(13-21(20)35-2)28-24(34)32-9-11-36-12-10-32/h3-8,13-14H,9-12H2,1-2H3,(H,27,33)(H,28,34)(H2,26,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type ALK (unknown origin) incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.bmc.2020.115715 BindingDB Entry DOI: 10.7270/Q2J38X52
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525829 (CHEMBL4546844) Show SMILES COc1cc(NC(=O)NC2CCC(=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H28ClN7O4/c1-15(35)29-20-5-3-4-6-21(20)32-24-19(27)14-28-25(34-24)33-22-12-9-17(13-23(22)38-2)31-26(37)30-16-7-10-18(36)11-8-16/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,29,35)(H2,30,31,37)(H2,28,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50187693 (CHEMBL3186509) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB 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 human ATX pre-incubated for 45 mins before fluorogenic substrate-3 addition and measured every minute for 30 mins by fluorescence based...				J Med Chem 63: 7326-7346 (2020) Article DOI: 10.1021/acs.jmedchem.0c00506 BindingDB Entry DOI: 10.7270/Q2GM8BW0
					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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557561 (CHEMBL4790721) Show SMILES CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3nc(CN4CCN(C)CC4)[nH]c3c2)ncc1Cl Show InChI	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
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Src...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525831 (CHEMBL4468370) Show SMILES COc1cc(NC(=O)N2CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H31ClN8O4/c1-17(37)29-20-5-3-4-6-21(20)31-24-19(27)16-28-25(33-24)32-22-8-7-18(15-23(22)39-2)30-26(38)35-11-9-34(10-12-35)13-14-36/h3-8,15-16,36H,9-14H2,1-2H3,(H,29,37)(H,30,38)(H2,28,31,32,33)	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 recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain L1196M mutant expressed in baculovirus expressio...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50187693 (CHEMBL3186509) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human ATX by fluorogenic substrate-3 assay				J Med Chem 63: 7326-7346 (2020) Article DOI: 10.1021/acs.jmedchem.0c00506 BindingDB Entry DOI: 10.7270/Q2GM8BW0
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525832 (CHEMBL4471142) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1)N1CCCC1=O Show InChI InChI=1S/C23H23ClN6O3/c1-14(31)26-17-6-3-4-7-18(17)27-22-16(24)13-25-23(29-22)28-19-10-9-15(12-20(19)33-2)30-11-5-8-21(30)32/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,26,31)(H2,25,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain L1196M mutant expressed in baculovirus expressio...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50547671 (CHEMBL4778125) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)-n1cccc1C(=O)NCCO Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ALK L1196M (unknown origin) incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.bmc.2020.115715 BindingDB Entry DOI: 10.7270/Q2J38X52
					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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain L1196M mutant expressed in baculovirus expressio...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557559 (CHEMBL4753667) Show SMILES CN(C)Cc1nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N(C)C)n3)cc2[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Src...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Src...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50525828 (CHEMBL4462528) Show SMILES COc1cc(NC(=O)C2CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C23H23ClN6O3/c1-13(31)26-17-5-3-4-6-18(17)28-21-16(24)12-25-23(30-21)29-19-10-9-15(11-20(19)33-2)27-22(32)14-7-8-14/h3-6,9-12,14H,7-8H2,1-2H3,(H,26,31)(H,27,32)(H2,25,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50064000 (CHEMBL3400988) Show SMILES CC(=O)c1ccc(OCc2ccc3OCOc3c2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H24O7/c1-17(27)21-9-8-20(30-15-18-7-10-23-25(13-18)32-16-31-23)14-24(21)33-22(11-12-26(28)29)19-5-3-2-4-6-19/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Displacement of PD156707 from rat ETA receptor after 1 hr by Lowry method				Bioorg Med Chem 23: 657-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.003 BindingDB Entry DOI: 10.7270/Q28K7BRM
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557563 (CHEMBL4746688) Show SMILES CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3nc(CN4CCCC4)[nH]c3c2)ncc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Src...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557560 (CHEMBL4760438) Show SMILES CN1CCN(Cc2nc3ccc(Nc4ncc(Cl)c(Nc5ccccc5NS(C)(=O)=O)n4)cc3[nH]2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Src...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557558 (CHEMBL4747513) Show SMILES CN(C)Cc1nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)cc2[nH]1 Show InChI	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
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50525829 (CHEMBL4546844) Show SMILES COc1cc(NC(=O)NC2CCC(=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H28ClN7O4/c1-15(35)29-20-5-3-4-6-21(20)32-24-19(27)14-28-25(34-24)33-22-12-9-17(13-23(22)38-2)31-26(37)30-16-7-10-18(36)11-8-16/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,29,35)(H2,30,31,37)(H2,28,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525834 (CHEMBL4448400) Show SMILES COc1cc(NC(=O)N2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C24H26ClN7O3/c1-15(33)27-18-7-3-4-8-19(18)29-22-17(25)14-26-23(31-22)30-20-10-9-16(13-21(20)35-2)28-24(34)32-11-5-6-12-32/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,27,33)(H,28,34)(H2,26,29,30,31)	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 recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain L1196M mutant expressed in baculovirus expressio...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557559 (CHEMBL4753667) Show SMILES CN(C)Cc1nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N(C)C)n3)cc2[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557561 (CHEMBL4790721) Show SMILES CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3nc(CN4CCN(C)CC4)[nH]c3c2)ncc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50063998 (CHEMBL3400989) Show SMILES CC(=O)c1ccc(OCc2ccc3nsnc3c2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C25H22N2O5S/c1-16(28)20-9-8-19(31-15-17-7-10-21-22(13-17)27-33-26-21)14-24(20)32-23(11-12-25(29)30)18-5-3-2-4-6-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method				Bioorg Med Chem 23: 657-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.003 BindingDB Entry DOI: 10.7270/Q28K7BRM
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525829 (CHEMBL4546844) Show SMILES COc1cc(NC(=O)NC2CCC(=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H28ClN7O4/c1-15(35)29-20-5-3-4-6-21(20)32-24-19(27)14-28-25(34-24)33-22-12-9-17(13-23(22)38-2)31-26(37)30-16-7-10-18(36)11-8-16/h3-6,9,12-14,16H,7-8,10-11H2,1-2H3,(H,29,35)(H2,30,31,37)(H2,28,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain L1196M mutant expressed in baculovirus expressio...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557558 (CHEMBL4747513) Show SMILES CN(C)Cc1nc2ccc(Nc3ncc(Cl)c(Nc4ccccc4NS(C)(=O)=O)n3)cc2[nH]1 Show InChI	PDB 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
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Src...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525828 (CHEMBL4462528) Show SMILES COc1cc(NC(=O)C2CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C23H23ClN6O3/c1-13(31)26-17-5-3-4-6-18(17)28-21-16(24)12-25-23(30-21)29-19-10-9-15(11-20(19)33-2)27-22(32)14-7-8-14/h3-6,9-12,14H,7-8H2,1-2H3,(H,26,31)(H,27,32)(H2,25,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525830 (CHEMBL4562805) Show SMILES COc1cc(NC(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C24H26ClN7O4/c1-15(33)27-18-5-3-4-6-19(18)29-22-17(25)14-26-23(31-22)30-20-8-7-16(13-21(20)35-2)28-24(34)32-9-11-36-12-10-32/h3-8,13-14H,9-12H2,1-2H3,(H,27,33)(H,28,34)(H2,26,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain G1202R mutant using srctide as substrate incubat...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50525832 (CHEMBL4471142) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1)N1CCCC1=O Show InChI InChI=1S/C23H23ClN6O3/c1-14(31)26-17-6-3-4-7-18(17)27-22-16(24)13-25-23(29-22)28-19-10-9-15(12-20(19)33-2)30-11-5-8-21(30)32/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,26,31)(H2,25,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50547670 (CHEMBL4779513) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)-n1cccc1C(=O)N1CCSCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type ALK (unknown origin) incubated for 1 hr				Citation and Details Article DOI: 10.1016/j.bmc.2020.115715 BindingDB Entry DOI: 10.7270/Q2J38X52
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525833 (CHEMBL4536955) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1)N1CCCNC1=O Show InChI InChI=1S/C23H24ClN7O3/c1-14(32)27-17-6-3-4-7-18(17)28-21-16(24)13-26-22(30-21)29-19-9-8-15(12-20(19)34-2)31-11-5-10-25-23(31)33/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,25,33)(H,27,32)(H2,26,28,29,30)	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 recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50061101 (4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...) Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method				Bioorg Med Chem 23: 657-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.003 BindingDB Entry DOI: 10.7270/Q28K7BRM
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557560 (CHEMBL4760438) Show SMILES CN1CCN(Cc2nc3ccc(Nc4ncc(Cl)c(Nc5ccccc5NS(C)(=O)=O)n4)cc3[nH]2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525833 (CHEMBL4536955) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1)N1CCCNC1=O Show InChI InChI=1S/C23H24ClN7O3/c1-14(32)27-17-6-3-4-7-18(17)28-21-16(24)13-26-22(30-21)29-19-9-8-15(12-20(19)34-2)31-11-5-10-25-23(31)33/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,25,33)(H,27,32)(H2,26,28,29,30)	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 recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain L1196M mutant expressed in baculovirus expressio...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525834 (CHEMBL4448400) Show SMILES COc1cc(NC(=O)N2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C24H26ClN7O3/c1-15(33)27-18-7-3-4-8-19(18)29-22-17(25)14-26-23(31-22)30-20-10-9-16(13-21(20)35-2)28-24(34)32-11-5-6-12-32/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,27,33)(H,28,34)(H2,26,29,30,31)	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 recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557562 (CHEMBL4743188) Show SMILES CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)ncc1Cl Show InChI	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
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Src...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50525833 (CHEMBL4536955) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1)N1CCCNC1=O Show InChI InChI=1S/C23H24ClN7O3/c1-14(32)27-17-6-3-4-7-18(17)28-21-16(24)13-26-22(30-21)29-19-9-8-15(12-20(19)34-2)31-11-5-10-25-23(31)33/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,25,33)(H,27,32)(H2,26,28,29,30)	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 recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557563 (CHEMBL4746688) Show SMILES CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3nc(CN4CCCC4)[nH]c3c2)ncc1Cl Show InChI	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
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50063997 (CHEMBL3400996) Show SMILES OC(=O)CCC(Oc1cc(OCc2ccc3nonc3c2)ccc1C#N)c1ccccc1 Show InChI InChI=1S/C24H19N3O5/c25-14-18-7-8-19(30-15-16-6-9-20-21(12-16)27-32-26-20)13-23(18)31-22(10-11-24(28)29)17-4-2-1-3-5-17/h1-9,12-13,22H,10-11,15H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method				Bioorg Med Chem 23: 657-67 (2015) Article DOI: 10.1016/j.bmc.2015.01.003 BindingDB Entry DOI: 10.7270/Q28K7BRM
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50557561 (CHEMBL4790721) Show SMILES CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3nc(CN4CCN(C)CC4)[nH]c3c2)ncc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-fused ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116108 BindingDB Entry DOI: 10.7270/Q2W66QG0
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525832 (CHEMBL4471142) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1)N1CCCC1=O Show InChI InChI=1S/C23H23ClN6O3/c1-14(31)26-17-6-3-4-7-18(17)27-22-16(24)13-25-23(29-22)28-19-10-9-15(12-20(19)33-2)30-11-5-8-21(30)32/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,26,31)(H2,25,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50525831 (CHEMBL4468370) Show SMILES COc1cc(NC(=O)N2CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H31ClN8O4/c1-17(37)29-20-5-3-4-6-21(20)31-24-19(27)16-28-25(33-24)32-22-8-7-18(15-23(22)39-2)30-26(38)35-11-9-34(10-12-35)13-14-36/h3-8,15-16,36H,9-14H2,1-2H3,(H,29,37)(H,30,38)(H2,28,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain G1202R mutant using srctide as substrate incubat...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
					More data for this Ligand-Target Pair

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