BDBM50446983 CHEMBL3116065

SMILES: C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1

InChI Key: InChIKey=CDGIMSOONKIVTM-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 = 50446983   

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))	BDBM50446983 (CHEMBL3116065) Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H16FN9/c1-10(15-20-5-11(18)6-21-15)23-17-24-13-7-19-4-3-12(13)16(26-17)25-14-8-27(2)9-22-14/h3-10H,1-2H3,(H2,23,24,25,26)/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	1.82E+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))	BDBM50446983 (CHEMBL3116065) Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H16FN9/c1-10(15-20-5-11(18)6-21-15)23-17-24-13-7-19-4-3-12(13)16(26-17)25-14-8-27(2)9-22-14/h3-10H,1-2H3,(H2,23,24,25,26)/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	28	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))	BDBM50446983 (CHEMBL3116065) Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccncc2n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C17H16FN9/c1-10(15-20-5-11(18)6-21-15)23-17-24-13-7-19-4-3-12(13)16(26-17)25-14-8-27(2)9-22-14/h3-10H,1-2H3,(H2,23,24,25,26)/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	12	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