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BDBM50444370 CHEMBL3094457

SMILES: COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCCCN)c3ccccc3)c(=O)[nH]c2n1

InChI Key: InChIKey=MFXSCAPVWMOBTK-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50444370   
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))
BDBM50444370
PNG
(CHEMBL3094457)
Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCCCN)c3ccccc3)c(=O)[nH]c2n1
Show InChI InChI=1S/C27H27ClN6O4/c1-38-27-30-15-18-13-19(26(37)33-23(18)34-27)25(36)32-22-14-17(10-11-20(22)28)24(35)31-21(9-5-6-12-29)16-7-3-2-4-8-16/h2-4,7-8,10-11,13-15,21H,5-6,9,12,29H2,1H3,(H,31,35)(H,32,36)(H,30,33,34,37)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+3n/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))
BDBM50444370
PNG
(CHEMBL3094457)
Show SMILES COc1ncc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)NC(CCCCN)c3ccccc3)c(=O)[nH]c2n1
Show InChI InChI=1S/C27H27ClN6O4/c1-38-27-30-15-18-13-19(26(37)33-23(18)34-27)25(36)32-22-14-17(10-11-20(22)28)24(35)31-21(9-5-6-12-29)16-7-3-2-4-8-16/h2-4,7-8,10-11,13-15,21H,5-6,9,12,29H2,1H3,(H,31,35)(H,32,36)(H,30,33,34,37)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 797n/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