Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50389158'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389158 (CHEMBL2064664) Show SMILES COCCNC1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 |r,c:23| Show InChI InChI=1S/C27H35ClN6O3/c1-36-10-9-30-19-7-5-15-12-21(22(37-2)13-16(15)6-8-19)32-27-31-14-20(28)26(34-27)33-24-18-4-3-17(11-18)23(24)25(29)35/h3-4,12-14,17-19,23-24,30H,5-11H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio...				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389158 (CHEMBL2064664) Show SMILES COCCNC1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 |r,c:23| Show InChI InChI=1S/C27H35ClN6O3/c1-36-10-9-30-19-7-5-15-12-21(22(37-2)13-16(15)6-8-19)32-27-31-14-20(28)26(34-27)33-24-18-4-3-17(11-18)23(24)25(29)35/h3-4,12-14,17-19,23-24,30H,5-11H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio...				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389158 (CHEMBL2064664) Show SMILES COCCNC1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 |r,c:23| Show InChI InChI=1S/C27H35ClN6O3/c1-36-10-9-30-19-7-5-15-12-21(22(37-2)13-16(15)6-8-19)32-27-31-14-20(28)26(34-27)33-24-18-4-3-17(11-18)23(24)25(29)35/h3-4,12-14,17-19,23-24,30H,5-11H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389158 (CHEMBL2064664) Show SMILES COCCNC1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 |r,c:23| Show InChI InChI=1S/C27H35ClN6O3/c1-36-10-9-30-19-7-5-15-12-21(22(37-2)13-16(15)6-8-19)32-27-31-14-20(28)26(34-27)33-24-18-4-3-17(11-18)23(24)25(29)35/h3-4,12-14,17-19,23-24,30H,5-11H2,1-2H3,(H2,29,35)(H2,31,32,33,34)/t17-,18+,19?,23+,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair