BDBM244039 10-((5-chloro-4-(2-(isopropylsulfonyl)phenyl)aminopyrimidin-2-yl)amino)-9-methoxy-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoline)-4-one::US10053458, 97
SMILES: COc1cc2CCN3C(CNCC3=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
InChI Key: InChIKey=LVBJEZPSLPIGDT-UHFFFAOYSA-N
Data: 4 IC50
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)) | BDBM244039 (10-((5-chloro-4-(2-(isopropylsulfonyl)phenyl)amino...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | 25 |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent | Assay Description A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme... | US Patent US10053458 (2018) BindingDB Entry DOI: 10.7270/Q2ZS2ZH9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Insulin receptor (Homo sapiens (Human)) | BDBM244039 (10-((5-chloro-4-(2-(isopropylsulfonyl)phenyl)amino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Science& Technology Curated by ChEMBL | Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes. | Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM244039 (10-((5-chloro-4-(2-(isopropylsulfonyl)phenyl)amino...) | 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 |
University of Science& Technology Curated by ChEMBL | Assay Description Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay | Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (L1196M) (Homo sapiens (Human)) | BDBM244039 (10-((5-chloro-4-(2-(isopropylsulfonyl)phenyl)amino...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent | US Patent US10053458 (2018) BindingDB Entry DOI: 10.7270/Q2ZS2ZH9 | ||||||||||||
More data for this Ligand-Target Pair |