BDBM50170221 CHEMBL3806189
SMILES: CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
InChI Key: InChIKey=CGMQSJXTBXHOTH-UHFFFAOYSA-N
Data: 13 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 |
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Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us... | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of human recombinant c-KIT expressed in insect cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibroblast growth factor receptor 2 (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of human recombinant FGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Platelet-derived growth factor receptor alpha (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of human recombinant PDGFRalpha expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Platelet-derived growth factor receptor beta (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of human recombinant PDGFRbeta expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of CYP3A4 (unknown origin) | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human)) | BDBM50170221 (CHEMBL3806189) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre Curated by ChEMBL | Assay Description Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP | J Med Chem 59: 3063-78 (2016) BindingDB Entry DOI: 10.7270/Q2028TF3 | |||||||||||
More data for this Ligand-Target Pair |