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BDBM50520278 CHEMBL4569209

SMILES: CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C

InChI Key: InChIKey=UAPCOTPXNOKKFY-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 = 50520278   
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
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50520278
PNG
(CHEMBL4569209)
Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C
Show InChI InChI=1S/C19H20N4O2/c1-11(2)25-18-7-13(4-5-16(18)19(20)24)14-6-15(9-21-8-14)17-10-22-23-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



A*STAR

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...


J Med Chem 63: 621-637 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01582
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50520278
PNG
(CHEMBL4569209)
Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C
Show InChI InChI=1S/C19H20N4O2/c1-11(2)25-18-7-13(4-5-16(18)19(20)24)14-6-15(9-21-8-14)17-10-22-23-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



A*STAR

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKN...


J Med Chem 63: 621-637 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01582
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1/2


(Homo sapiens (Human))
BDBM50520278
PNG
(CHEMBL4569209)
Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C
Show InChI InChI=1S/C19H20N4O2/c1-11(2)25-18-7-13(4-5-16(18)19(20)24)14-6-15(9-21-8-14)17-10-22-23-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



A*STAR

Curated by ChEMBL


Assay Description
Inhibition of MNK1/MNK2 in human HeLa cells overexpressing eIF4E assessed as reduction in eIF4E phosphorylation at Ser209 residue after 2 hrs by Alph...


J Med Chem 63: 621-637 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01582
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50520278
PNG
(CHEMBL4569209)
Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C
Show InChI InChI=1S/C19H20N4O2/c1-11(2)25-18-7-13(4-5-16(18)19(20)24)14-6-15(9-21-8-14)17-10-22-23-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



A*STAR

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 63: 621-637 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01582
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50520278
PNG
(CHEMBL4569209)
Show SMILES CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C
Show InChI InChI=1S/C19H20N4O2/c1-11(2)25-18-7-13(4-5-16(18)19(20)24)14-6-15(9-21-8-14)17-10-22-23-12(17)3/h4-11H,1-3H3,(H2,20,24)(H,22,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



A*STAR

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 63: 621-637 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01582
More data for this
Ligand-Target Pair