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BDBM50384878 CHEMBL2035184

SMILES: C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3

InChI Key: InChIKey=HJLQTCJLJAJRFH-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 = 50384878   
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))
BDBM50384878
PNG
(CHEMBL2035184)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H30N4O3S/c1-2-10-30(9-1)11-14-33-25-6-5-22-15-20(25)17-31-12-3-4-13-32-18-23-16-21(19-34-23)24-7-8-27-26(28-22)29-24/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,27,28,29)/b4-3+
PDB
MMDB

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n/an/a 6.80E+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))
BDBM50384878
PNG
(CHEMBL2035184)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H30N4O3S/c1-2-10-30(9-1)11-14-33-25-6-5-22-15-20(25)17-31-12-3-4-13-32-18-23-16-21(19-34-23)24-7-8-27-26(28-22)29-24/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,27,28,29)/b4-3+
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n/an/a 47n/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))
BDBM50384878
PNG
(CHEMBL2035184)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H30N4O3S/c1-2-10-30(9-1)11-14-33-25-6-5-22-15-20(25)17-31-12-3-4-13-32-18-23-16-21(19-34-23)24-7-8-27-26(28-22)29-24/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,27,28,29)/b4-3+
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n/an/a 680n/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))
BDBM50384878
PNG
(CHEMBL2035184)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H30N4O3S/c1-2-10-30(9-1)11-14-33-25-6-5-22-15-20(25)17-31-12-3-4-13-32-18-23-16-21(19-34-23)24-7-8-27-26(28-22)29-24/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,27,28,29)/b4-3+
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n/an/a 1.50E+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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50384878
PNG
(CHEMBL2035184)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H30N4O3S/c1-2-10-30(9-1)11-14-33-25-6-5-22-15-20(25)17-31-12-3-4-13-32-18-23-16-21(19-34-23)24-7-8-27-26(28-22)29-24/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,27,28,29)/b4-3+
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/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 receptor FLT3


(Homo sapiens (Human))
BDBM50384878
PNG
(CHEMBL2035184)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H30N4O3S/c1-2-10-30(9-1)11-14-33-25-6-5-22-15-20(25)17-31-12-3-4-13-32-18-23-16-21(19-34-23)24-7-8-27-26(28-22)29-24/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,27,28,29)/b4-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/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