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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Utrophin' and Ligand = 'BDBM50519638'   
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
Utrophin


(Homo sapiens)
BDBM50519638
PNG
(CHEMBL4442951)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2C=C[C@@H](O)[C@H](O)c2c1 |r,c:20|
Show InChI InChI=1S/C19H17NO5S/c1-2-26(23,24)13-6-8-17-15(10-13)20-19(25-17)12-4-3-11-5-7-16(21)18(22)14(11)9-12/h3-10,16,18,21-22H,2H2,1H3/t16-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 120n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Activation of human utrophin-1 in mouse mdx myoblasts by H2K-mdx utrnA-luc assay


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50519638
PNG
(CHEMBL4442951)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2C=C[C@@H](O)[C@H](O)c2c1 |r,c:20|
Show InChI InChI=1S/C19H17NO5S/c1-2-26(23,24)13-6-8-17-15(10-13)20-19(25-17)12-4-3-11-5-7-16(21)18(22)14(11)9-12/h3-10,16,18,21-22H,2H2,1H3/t16-,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.35E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Activation of human utrophin-1 in iDMD cells by HTRF assay


J Med Chem 63: 2547-2556 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01547
BindingDB Entry DOI: 10.7270/Q24B34P2
More data for this
Ligand-Target Pair