BDBM50446992 CHEMBL3116053

SMILES: CC(Nc1nc(Nc2cn(C)cn2)c2c[nH]nc2n1)c1ncc(F)cn1

InChI Key: InChIKey=MLPFLKLPZSACMH-UHFFFAOYSA-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 = 50446992   

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 JAK3 (Homo sapiens (Human))	BDBM50446992 (CHEMBL3116053) Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2c[nH]nc2n1)c1ncc(F)cn1 Show InChI InChI=1S/C15H15FN10/c1-8(12-17-3-9(16)4-18-12)21-15-23-13(10-5-20-25-14(10)24-15)22-11-6-26(2)7-19-11/h3-8H,1-2H3,(H3,20,21,22,23,24,25)	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	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Jak3 (unknown origin)				J Med Chem 57: 144-58 (2014) Article DOI: 10.1021/jm401546n BindingDB Entry DOI: 10.7270/Q2CR5VTM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50446992 (CHEMBL3116053) Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2c[nH]nc2n1)c1ncc(F)cn1 Show InChI InChI=1S/C15H15FN10/c1-8(12-17-3-9(16)4-18-12)21-15-23-13(10-5-20-25-14(10)24-15)22-11-6-26(2)7-19-11/h3-8H,1-2H3,(H3,20,21,22,23,24,25)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Jak1 (unknown origin)				J Med Chem 57: 144-58 (2014) Article DOI: 10.1021/jm401546n BindingDB Entry DOI: 10.7270/Q2CR5VTM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50446992 (CHEMBL3116053) Show SMILES CC(Nc1nc(Nc2cn(C)cn2)c2c[nH]nc2n1)c1ncc(F)cn1 Show InChI InChI=1S/C15H15FN10/c1-8(12-17-3-9(16)4-18-12)21-15-23-13(10-5-20-25-14(10)24-15)22-11-6-26(2)7-19-11/h3-8H,1-2H3,(H3,20,21,22,23,24,25)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Jak2 (unknown origin)				J Med Chem 57: 144-58 (2014) Article DOI: 10.1021/jm401546n BindingDB Entry DOI: 10.7270/Q2CR5VTM
					More data for this Ligand-Target Pair