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BDBM50311646 (+/-)-2-(1H-benzo[d]imidazol-1-yl)-9-(chroman-4-yl)-7H-purin-8(9H)-one::CHEMBL1079525

SMILES: O=c1[nH]c2cnc(nc2n1C1CCOc2ccccc12)-n1cnc2ccccc12

InChI Key: InChIKey=IYQNSOWQLSAIBF-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50311646   
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))
BDBM50311646
PNG
((+/-)-2-(1H-benzo[d]imidazol-1-yl)-9-(chroman-4-yl...)
Show SMILES O=c1[nH]c2cnc(nc2n1C1CCOc2ccccc12)-n1cnc2ccccc12
Show InChI InChI=1S/C21H16N6O2/c28-21-24-15-11-22-20(26-12-23-14-6-2-3-7-17(14)26)25-19(15)27(21)16-9-10-29-18-8-4-1-5-13(16)18/h1-8,11-12,16H,9-10H2,(H,24,28)
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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 (532-1132) by time resolved fluorescence assay


Bioorg Med Chem Lett 19: 6788-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50311646
PNG
((+/-)-2-(1H-benzo[d]imidazol-1-yl)-9-(chroman-4-yl...)
Show SMILES O=c1[nH]c2cnc(nc2n1C1CCOc2ccccc12)-n1cnc2ccccc12
Show InChI InChI=1S/C21H16N6O2/c28-21-24-15-11-22-20(26-12-23-14-6-2-3-7-17(14)26)25-19(15)27(21)16-9-10-29-18-8-4-1-5-13(16)18/h1-8,11-12,16H,9-10H2,(H,24,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay


Bioorg Med Chem Lett 19: 6788-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4
More data for this
Ligand-Target Pair