BindingDB logo
myBDB logout

null

SMILES: C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C3CC3)c2n1)c1ncc(F)cn1

InChI Key: InChIKey=MXIBMXWJAOYHPZ-NSHDSACASA-N

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 = 50446993   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50446993
PNG
(CHEMBL3116052)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H20FN9/c1-11(16-21-7-12(20)8-22-16)24-19-26-17(25-15-9-28(2)10-23-15)14-5-6-29(13-3-4-13)18(14)27-19/h5-11,13H,3-4H2,1-2H3,(H2,24,25,26,27)/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/an/a 2.46E+3n/an/an/an/an/an/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))
BDBM50446993
PNG
(CHEMBL3116052)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H20FN9/c1-11(16-21-7-12(20)8-22-16)24-19-26-17(25-15-9-28(2)10-23-15)14-5-6-29(13-3-4-13)18(14)27-19/h5-11,13H,3-4H2,1-2H3,(H2,24,25,26,27)/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/an/a 29n/an/an/an/an/an/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))
BDBM50446993
PNG
(CHEMBL3116052)
Show SMILES C[C@H](Nc1nc(Nc2cn(C)cn2)c2ccn(C3CC3)c2n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C19H20FN9/c1-11(16-21-7-12(20)8-22-16)24-19-26-17(25-15-9-28(2)10-23-15)14-5-6-29(13-3-4-13)18(14)27-19/h5-11,13H,3-4H2,1-2H3,(H2,24,25,26,27)/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/an/a 27n/an/an/an/an/an/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