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SMILES: FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cc(F)cnc12

InChI Key:

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 4 hits for monomerid = 50545962   
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))
BDBM50545962
PNG
(CHEMBL4755436 | US11649241, Example 12)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cc(F)cnc12
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.0900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FX1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50545962
PNG
(CHEMBL4755436 | US11649241, Example 12)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cc(F)cnc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.410n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FX1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545962
PNG
(CHEMBL4755436 | US11649241, Example 12)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cc(F)cnc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50545962
PNG
(CHEMBL4755436 | US11649241, Example 12)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cc(F)cnc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair