BDBM50018827 CHEMBL3286817

SMILES: Cn1ncc2CCCCOc3ccc(F)cc3COc3cc(cnc3N)-c12

InChI Key: InChIKey=XZDITQKBHNRUDE-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50018827   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50018827 (CHEMBL3286817) Show SMILES Cn1ncc2CCCCOc3ccc(F)cc3COc3cc(cnc3N)-c12 Show InChI InChI=1S/C20H21FN4O2/c1-25-19-13(11-24-25)4-2-3-7-26-17-6-5-16(21)8-15(17)12-27-18-9-14(19)10-23-20(18)22/h5-6,8-11H,2-4,7,12H2,1H3,(H2,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-CONH...				J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50018827 (CHEMBL3286817) Show SMILES Cn1ncc2CCCCOc3ccc(F)cc3COc3cc(cnc3N)-c12 Show InChI InChI=1S/C20H21FN4O2/c1-25-19-13(11-24-25)4-2-3-7-26-17-6-5-16(21)8-15(17)12-27-18-9-14(19)10-23-20(18)22/h5-6,8-11H,2-4,7,12H2,1H3,(H2,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-...				J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50018827 (CHEMBL3286817) Show SMILES Cn1ncc2CCCCOc3ccc(F)cc3COc3cc(cnc3N)-c12 Show InChI InChI=1S/C20H21FN4O2/c1-25-19-13(11-24-25)4-2-3-7-26-17-6-5-16(21)8-15(17)12-27-18-9-14(19)10-23-20(18)22/h5-6,8-11H,2-4,7,12H2,1H3,(H2,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA				J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50018827 (CHEMBL3286817) Show SMILES Cn1ncc2CCCCOc3ccc(F)cc3COc3cc(cnc3N)-c12 Show InChI InChI=1S/C20H21FN4O2/c1-25-19-13(11-24-25)4-2-3-7-26-17-6-5-16(21)8-15(17)12-27-18-9-14(19)10-23-20(18)22/h5-6,8-11H,2-4,7,12H2,1H3,(H2,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human EML4-fused ALK L1196M mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA				J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68
					More data for this Ligand-Target Pair