BDBM50335208 CHEMBL1650735::N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methoxy-1Hpyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine

SMILES: COc1cc(Nc2cc(nc(N[C@@H](C)c3ncc(F)cn3)n2)N2CCOCC2)[nH]n1

InChI Key: InChIKey=QVRNOZLSUAECTA-NSHDSACASA-N

Data: 3 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 3 hits for monomerid = 50335208   

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))	BDBM50335208 (CHEMBL1650735 | N2-[(1S)-1-(5-fluoropyrimidin-2-yl...) Show SMILES COc1cc(Nc2cc(nc(N[C@@H](C)c3ncc(F)cn3)n2)N2CCOCC2)[nH]n1 |r| Show InChI InChI=1S/C18H22FN9O2/c1-11(17-20-9-12(19)10-21-17)22-18-24-13(23-14-8-16(29-2)27-26-14)7-15(25-18)28-3-5-30-6-4-28/h7-11H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t11-/m0/s1	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	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of JAK2 using 5 mM of ATP				J Med Chem 54: 262-76 (2011) Article DOI: 10.1021/jm1011319 BindingDB Entry DOI: 10.7270/Q2M32WRM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50335208 (CHEMBL1650735 | N2-[(1S)-1-(5-fluoropyrimidin-2-yl...) Show SMILES COc1cc(Nc2cc(nc(N[C@@H](C)c3ncc(F)cn3)n2)N2CCOCC2)[nH]n1 |r| Show InChI InChI=1S/C18H22FN9O2/c1-11(17-20-9-12(19)10-21-17)22-18-24-13(23-14-8-16(29-2)27-26-14)7-15(25-18)28-3-5-30-6-4-28/h7-11H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t11-/m0/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of JAK2 using Km ATP concentration				J Med Chem 54: 262-76 (2011) Article DOI: 10.1021/jm1011319 BindingDB Entry DOI: 10.7270/Q2M32WRM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50335208 (CHEMBL1650735 | N2-[(1S)-1-(5-fluoropyrimidin-2-yl...) Show SMILES COc1cc(Nc2cc(nc(N[C@@H](C)c3ncc(F)cn3)n2)N2CCOCC2)[nH]n1 |r| Show InChI InChI=1S/C18H22FN9O2/c1-11(17-20-9-12(19)10-21-17)22-18-24-13(23-14-8-16(29-2)27-26-14)7-15(25-18)28-3-5-30-6-4-28/h7-11H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t11-/m0/s1	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	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of JAK3 using 5 mM of ATP				J Med Chem 54: 262-76 (2011) Article DOI: 10.1021/jm1011319 BindingDB Entry DOI: 10.7270/Q2M32WRM
					More data for this Ligand-Target Pair