BDBM50018816 CHEMBL3286808
SMILES: COc1ccc(F)cc1[C@@H](C)Oc1cc(cnc1N)-c1cnnn1C
InChI Key: InChIKey=GXUFIECYEKHMLD-SNVBAGLBSA-N
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)) | BDBM50018816 (CHEMBL3286808) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 4 | 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 | 3D Structure (crystal) | ||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM50018816 (CHEMBL3286808) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 38 | 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 | 3D Structure (crystal) | ||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM50018816 (CHEMBL3286808) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 95 | 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 | 3D Structure (crystal) | ||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM50018816 (CHEMBL3286808) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 3.20E+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 | 3D Structure (crystal) |