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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.4
BDBM50537056

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50537056
PNG
(CHEMBL4571759)
Show SMILES CCCCc1cn(nn1)-c1cccc(c1)S(=O)(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O2S/c1-2-3-7-14-13-26(25-23-14)15-8-6-9-16(12-15)29(27,28)24-18-11-5-4-10-17(18)19(20,21)22/h4-6,8-13,24H,2-3,7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human His-tagged DDX3X expressed in Escherichia coli using dsRNA as substrate measured after 40 mins in presenc...


ACS Med Chem Lett 11: 956-962 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00681
BindingDB Entry DOI: 10.7270/Q2N87FBS
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX1


(Homo sapiens (Human))
BDBM50537056
PNG
(CHEMBL4571759)
Show SMILES CCCCc1cn(nn1)-c1cccc(c1)S(=O)(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O2S/c1-2-3-7-14-13-26(25-23-14)15-8-6-9-16(12-15)29(27,28)24-18-11-5-4-10-17(18)19(20,21)22/h4-6,8-13,24H,2-3,7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human DDX1 helicase activity


J Med Chem 62: 2333-2347 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01403
BindingDB Entry DOI: 10.7270/Q2X06BJK
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase DDX3X


(Homo sapiens (Human))
BDBM50537056
PNG
(CHEMBL4571759)
Show SMILES CCCCc1cn(nn1)-c1cccc(c1)S(=O)(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O2S/c1-2-3-7-14-13-26(25-23-14)15-8-6-9-16(12-15)29(27,28)24-18-11-5-4-10-17(18)19(20,21)22/h4-6,8-13,24H,2-3,7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human DDX3X ATPase activity using DDX3 as substrate by ADP-Glo kinase assay


J Med Chem 62: 2333-2347 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01403
BindingDB Entry DOI: 10.7270/Q2X06BJK
More data for this
Ligand-Target Pair