BindingDB logo
myBDB logout

BDBM50444356 CHEMBL3094439

SMILES: COc1nc(C)c2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3ccccc3)c(=O)[nH]c2n1

InChI Key: InChIKey=FPFBUUBVECCCFK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50444356   
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
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50444356
PNG
(CHEMBL3094439)
Show SMILES COc1nc(C)c2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3ccccc3)c(=O)[nH]c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-14-17-13-18(25(36)32-22(17)33-26(29-14)37-2)24(35)31-21-12-16(8-9-19(21)27)23(34)30-20(10-11-28)15-6-4-3-5-7-15/h3-9,12-13,20H,10-11,28H2,1-2H3,(H,30,34)(H,31,35)(H,29,32,33,36)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 101n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1B (unknown origin)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50444356
PNG
(CHEMBL3094439)
Show SMILES COc1nc(C)c2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCN)c3ccccc3)c(=O)[nH]c2n1
Show InChI InChI=1S/C26H25ClN6O4/c1-14-17-13-18(25(36)32-22(17)33-26(29-14)37-2)24(35)31-21-12-16(8-9-19(21)27)23(34)30-20(10-11-28)15-6-4-3-5-7-15/h3-9,12-13,20H,10-11,28H2,1-2H3,(H,30,34)(H,31,35)(H,29,32,33,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
More data for this
Ligand-Target Pair