BDBM50446981 CHEMBL3116051

SMILES: C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1

InChI Key: InChIKey=IGCWHAZMGYJLQW-JTQLQIEISA-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 = 50446981   

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))	BDBM50446981 (CHEMBL3116051) Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H18FN9/c1-10(14-19-6-11(18)7-20-14)22-17-24-15(23-13-8-26(2)9-21-13)12-4-5-27(3)16(12)25-17/h4-10H,1-3H3,(H2,22,23,24,25)/t10-/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	7.56E+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))	BDBM50446981 (CHEMBL3116051) Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H18FN9/c1-10(14-19-6-11(18)7-20-14)22-17-24-15(23-13-8-26(2)9-21-13)12-4-5-27(3)16(12)25-17/h4-10H,1-3H3,(H2,22,23,24,25)/t10-/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	24	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))	BDBM50446981 (CHEMBL3116051) Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C)c2n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H18FN9/c1-10(14-19-6-11(18)7-20-14)22-17-24-15(23-13-8-26(2)9-21-13)12-4-5-27(3)16(12)25-17/h4-10H,1-3H3,(H2,22,23,24,25)/t10-/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	27	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