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BDBM50271752 CHEMBL4128114

SMILES: CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O

InChI Key: InChIKey=WKCUMDOOJAZCDE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50271752   
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
Calcium/calmodulin-dependent protein kinase kinase 2


(Mus musculus)
BDBM50271752
PNG
(CHEMBL4128114)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50271752
PNG
(CHEMBL4128114)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Homo sapiens (Human))
BDBM50271752
PNG
(CHEMBL4128114)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)
PDB
MMDB

KEGG

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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50271752
PNG
(CHEMBL4128114)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of INSR (unknown origin)


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM50271752
PNG
(CHEMBL4128114)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IKK1 (unknown origin)


Bioorg Med Chem Lett 28: 1958-1963 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.034
BindingDB Entry DOI: 10.7270/Q2QZ2DFB
More data for this
Ligand-Target Pair