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BDBM50305150 3-fluoro-4-{8,12,14-triazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-9-yl}phenol::CHEMBL602183

SMILES: Oc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1

InChI Key: InChIKey=PKMVIZBIARMZQW-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50305150   
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 JAK2


(Homo sapiens (Human))
BDBM50305150
PNG
(3-fluoro-4-{8,12,14-triazatetracyclo[8.6.1.0^{2,7}...)
Show SMILES Oc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1
Show InChI InChI=1S/C20H14FN3O/c21-16-9-11(25)5-6-14(16)19-15-10-23-20-18(15)13(7-8-22-20)12-3-1-2-4-17(12)24-19/h1-10,19,24-25H,(H,22,23)
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PC cid
PC sid
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Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 20: 153-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.021
BindingDB Entry DOI: 10.7270/Q2PN95RQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50305150
PNG
(3-fluoro-4-{8,12,14-triazatetracyclo[8.6.1.0^{2,7}...)
Show SMILES Oc1ccc(C2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1
Show InChI InChI=1S/C20H14FN3O/c21-16-9-11(25)5-6-14(16)19-15-10-23-20-18(15)13(7-8-22-20)12-3-1-2-4-17(12)24-19/h1-10,19,24-25H,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 720n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in granulocyte macrophage colony stimulating factor-stimulated human TF1 cells assessed as phosphorylation of STAT5


Bioorg Med Chem Lett 20: 153-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.021
BindingDB Entry DOI: 10.7270/Q2PN95RQ
More data for this
Ligand-Target Pair