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BDBM50384864 CHEMBL2035045

SMILES: CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2

InChI Key: InChIKey=QYHOUFKSRXQWPG-NSCUHMNNSA-N

Data: 6 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 6 hits for monomerid = 50384864   
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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50384864
PNG
(CHEMBL2035045)
Show SMILES CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C22H23N5O/c1-27-9-2-3-10-28-16-18-11-19(14-23-13-18)21-7-8-24-22(26-21)25-20-6-4-5-17(12-20)15-27/h2-8,11-14H,9-10,15-16H2,1H3,(H,24,25,26)/b3-2+
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n/an/a 420n/an/an/an/an/an/a



S BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2 using RbING as substrate after 2 hrs by luminometric assay


J Med Chem 55: 2623-40 (2012)


Article DOI: 10.1021/jm201454n
BindingDB Entry DOI: 10.7270/Q2CC11RG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50384864
PNG
(CHEMBL2035045)
Show SMILES CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C22H23N5O/c1-27-9-2-3-10-28-16-18-11-19(14-23-13-18)21-7-8-24-22(26-21)25-20-6-4-5-17(12-20)15-27/h2-8,11-14H,9-10,15-16H2,1H3,(H,24,25,26)/b3-2+
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n/an/a>1.00E+4n/an/an/an/an/an/a



S BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay


J Med Chem 55: 2623-40 (2012)


Article DOI: 10.1021/jm201454n
BindingDB Entry DOI: 10.7270/Q2CC11RG
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50384864
PNG
(CHEMBL2035045)
Show SMILES CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C22H23N5O/c1-27-9-2-3-10-28-16-18-11-19(14-23-13-18)21-7-8-24-22(26-21)25-20-6-4-5-17(12-20)15-27/h2-8,11-14H,9-10,15-16H2,1H3,(H,24,25,26)/b3-2+
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n/an/a 5.90E+3n/an/an/an/an/an/a



S BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of TYK2


J Med Chem 55: 2623-40 (2012)


Article DOI: 10.1021/jm201454n
BindingDB Entry DOI: 10.7270/Q2CC11RG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50384864
PNG
(CHEMBL2035045)
Show SMILES CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C22H23N5O/c1-27-9-2-3-10-28-16-18-11-19(14-23-13-18)21-7-8-24-22(26-21)25-20-6-4-5-17(12-20)15-27/h2-8,11-14H,9-10,15-16H2,1H3,(H,24,25,26)/b3-2+
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



S BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay


J Med Chem 55: 2623-40 (2012)


Article DOI: 10.1021/jm201454n
BindingDB Entry DOI: 10.7270/Q2CC11RG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50384864
PNG
(CHEMBL2035045)
Show SMILES CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C22H23N5O/c1-27-9-2-3-10-28-16-18-11-19(14-23-13-18)21-7-8-24-22(26-21)25-20-6-4-5-17(12-20)15-27/h2-8,11-14H,9-10,15-16H2,1H3,(H,24,25,26)/b3-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



S BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 using poly(Glu,Tyr) as substrate after 2 hrs by luminometric assay


J Med Chem 55: 2623-40 (2012)


Article DOI: 10.1021/jm201454n
BindingDB Entry DOI: 10.7270/Q2CC11RG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50384864
PNG
(CHEMBL2035045)
Show SMILES CN1C\C=C\COCc2cncc(c2)-c2ccnc(Nc3cccc(C1)c3)n2
Show InChI InChI=1S/C22H23N5O/c1-27-9-2-3-10-28-16-18-11-19(14-23-13-18)21-7-8-24-22(26-21)25-20-6-4-5-17(12-20)15-27/h2-8,11-14H,9-10,15-16H2,1H3,(H,24,25,26)/b3-2+
PDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



S BIO Pte. Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay


J Med Chem 55: 2623-40 (2012)


Article DOI: 10.1021/jm201454n
BindingDB Entry DOI: 10.7270/Q2CC11RG
More data for this
Ligand-Target Pair