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BDBM50315234 (2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)phenyl)quinoxalin-2-yl)phenyl)(morpholino)methanone::CHEMBL1089815

SMILES: Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1

InChI Key: InChIKey=QTMBJAFKWNRRDA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50315234   
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50315234
PNG
((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3
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Article
PubMed
n/an/a 439n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate


Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50315234
PNG
((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3
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Article
PubMed
n/an/a 408n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate


Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50315234
PNG
((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate


Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50315234
PNG
((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3
PDB

Reactome pathway
KEGG

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 362n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate


Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair