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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Utrophin' and Ligand = 'BDBM50519636'   
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)
BDBM50519636
PNG
(BMN 195 | BMN-195 | Ezutromid | SMT-C1100 | SMTC-1...)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 110n/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)
BDBM50519636
PNG
(BMN 195 | BMN-195 | Ezutromid | SMT-C1100 | SMTC-1...)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 187n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene a...


J Med Chem 63: 7880-7891 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00807
BindingDB Entry DOI: 10.7270/Q2G164DM
More data for this
Ligand-Target Pair
Utrophin


(Homo sapiens)
BDBM50519636
PNG
(BMN 195 | BMN-195 | Ezutromid | SMT-C1100 | SMTC-1...)
Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.28E+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