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BDBM50434072 CHEMBL2381342

SMILES: CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1

InChI Key: InChIKey=VDNUIDRDCANSTA-UHFFFAOYSA-N

Data: 3 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 = 50434072   
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
Mitogen-activated protein kinase 7


(Homo sapiens (Human))
BDBM50434072
PNG
(CHEMBL2381342)
Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of ERK5 phosphorylation in sorbitol-stimulated human HeLa cells


J Med Chem 56: 4413-21 (2013)


Article DOI: 10.1021/jm4000837
BindingDB Entry DOI: 10.7270/Q2RF5WDZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5


(Homo sapiens (Human))
BDBM50434072
PNG
(CHEMBL2381342)
Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5


(Homo sapiens (Human))
BDBM50434072
PNG
(CHEMBL2381342)
Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged MEK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins by HTS assay


Eur J Med Chem 178: 530-543 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.057
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))
BDBM50434072
PNG
(CHEMBL2381342)
Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged ERK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins by HTS assay


Eur J Med Chem 178: 530-543 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.057
More data for this
Ligand-Target Pair