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BDBM50444359 CHEMBL3094436

SMILES: NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CCC(N)CC2)c1)c1ccccc1

InChI Key: InChIKey=SDSQMAISOKRJPN-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50444359   
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))
BDBM50444359
PNG
(CHEMBL3094436)
Show SMILES NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CCC(N)CC2)c1)c1ccccc1
Show InChI InChI=1S/C29H31ClN8O3/c30-22-7-6-18(26(39)34-23(8-11-31)17-4-2-1-3-5-17)15-24(22)35-27(40)21-14-19-16-33-29(37-25(19)36-28(21)41)38-12-9-20(32)10-13-38/h1-7,14-16,20,23H,8-13,31-32H2,(H,34,39)(H,35,40)(H,33,36,37,41)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/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))
BDBM50444359
PNG
(CHEMBL3094436)
Show SMILES NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CCC(N)CC2)c1)c1ccccc1
Show InChI InChI=1S/C29H31ClN8O3/c30-22-7-6-18(26(39)34-23(8-11-31)17-4-2-1-3-5-17)15-24(22)35-27(40)21-14-19-16-33-29(37-25(19)36-28(21)41)38-12-9-20(32)10-13-38/h1-7,14-16,20,23H,8-13,31-32H2,(H,34,39)(H,35,40)(H,33,36,37,41)
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 9n/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