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BDBM50384875 CHEMBL2035056

SMILES: COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3

InChI Key: InChIKey=CTVGUZZYYBOQJM-ONEGZZNKSA-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 = 50384875   
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))
BDBM50384875
PNG
(CHEMBL2035056)
Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3
Show InChI InChI=1S/C24H28N4O4/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+
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PubMed
n/an/a 8.60E+3n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50384875
PNG
(CHEMBL2035056)
Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3
Show InChI InChI=1S/C24H28N4O4/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+
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n/an/a 590n/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 receptor FLT3


(Homo sapiens (Human))
BDBM50384875
PNG
(CHEMBL2035056)
Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3
Show InChI InChI=1S/C24H28N4O4/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+
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n/an/a 1.20E+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 JAK2


(Homo sapiens (Human))
BDBM50384875
PNG
(CHEMBL2035056)
Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3
Show InChI InChI=1S/C24H28N4O4/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+
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n/an/a 1.10E+3n/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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50384875
PNG
(CHEMBL2035056)
Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3
Show InChI InChI=1S/C24H28N4O4/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+
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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 JAK1


(Homo sapiens (Human))
BDBM50384875
PNG
(CHEMBL2035056)
Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)o3
Show InChI InChI=1S/C24H28N4O4/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.20E+3n/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