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BDBM50122322 CHEMBL3622147

SMILES: CCn1c(cc2c1nc(Nc1nc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1

InChI Key: InChIKey=DECMNAIMXFYLFZ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50122322   
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))
BDBM50122322
PNG
(CHEMBL3622147)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H27N9O/c1-5-30-16(21(32)31(13-6-7-13)14-8-9-14)10-15-18-17(23-11-28(18)3)19(25-20(15)30)26-22-24-12(2)29(4)27-22/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
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PC cid
PC sid
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PubMed
n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50122322
PNG
(CHEMBL3622147)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H27N9O/c1-5-30-16(21(32)31(13-6-7-13)14-8-9-14)10-15-18-17(23-11-28(18)3)19(25-20(15)30)26-22-24-12(2)29(4)27-22/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
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PC cid
PC sid
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50122322
PNG
(CHEMBL3622147)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H27N9O/c1-5-30-16(21(32)31(13-6-7-13)14-8-9-14)10-15-18-17(23-11-28(18)3)19(25-20(15)30)26-22-24-12(2)29(4)27-22/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair