BDBM50312987 4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benzo[d]oxazol-2-ylamino)-N,2-dimethylbenzamide::CHEMBL1082022

SMILES: CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C

InChI Key: InChIKey=JPVQJSNRDPPJID-UHFFFAOYSA-N

Data: 4 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 = 50312987   

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 JAK2 (Homo sapiens (Human))	BDBM50312987 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50312987 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50312987 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)	PDB 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	190	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK3 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50312987 (4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...) Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay				Bioorg Med Chem Lett 20: 1724-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.069 BindingDB Entry DOI: 10.7270/Q2M32VW0
					More data for this Ligand-Target Pair