BDBM50426736 CHEMBL2322139

SMILES: FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1

InChI Key: InChIKey=DAEHEXHIXLMIJT-UHFFFAOYSA-N

Data: 5 IC50  2 EC50

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 7 hits for monomerid = 50426736   

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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426736 (CHEMBL2322139) Show SMILES FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	970	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50426736 (CHEMBL2322139) Show SMILES FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of PKCalpha (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426736 (CHEMBL2322139) Show SMILES FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy tranfer assay in presence of 100 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50426736 (CHEMBL2322139) Show SMILES FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50426736 (CHEMBL2322139) Show SMILES FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50426736 (CHEMBL2322139) Show SMILES FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50426736 (CHEMBL2322139) Show SMILES FC(F)(F)c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C15H15F3N4/c16-15(17,18)14-21-11-8-20-13-10(6-7-19-13)12(11)22(14)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of JAK2 in human UT7 cells assessed as inhibition of Epo-dependent STAT5 phosphorylation				Bioorg Med Chem Lett 23: 693-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.108 BindingDB Entry DOI: 10.7270/Q2DN46CT
					More data for this Ligand-Target Pair