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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Creatine kinase M-type'   
Target
(Institution)
LigandTarget
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
Creatine kinase M-type


(Oryctolagus cuniculus)
BDBM50370908
PNG
(CHEMBL373782)
Show SMILES OC(=O)c1ccc(o1)-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H17NO5/c27-23(17-4-2-1-3-5-17)18-10-12-20(13-11-18)26-24(28)19-8-6-16(7-9-19)21-14-15-22(31-21)25(29)30/h1-15H,(H,26,28)(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Universit£ Claude Bernard Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle creatine kinase by pH-stat assay


Citation and Details
More data for this
Ligand-Target Pair
Creatine kinase M-type


(Oryctolagus cuniculus)
BDBM50370908
PNG
(CHEMBL373782)
Show SMILES OC(=O)c1ccc(o1)-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H17NO5/c27-23(17-4-2-1-3-5-17)18-10-12-20(13-11-18)26-24(28)19-8-6-16(7-9-19)21-14-15-22(31-21)25(29)30/h1-15H,(H,26,28)(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
2.50E+4n/an/an/an/an/an/an/an/a



Universit£ Claude Bernard Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle creatine kinase by pH-stat assay


Citation and Details
More data for this
Ligand-Target Pair
Creatine kinase M-type


(Oryctolagus cuniculus)
BDBM50370908
PNG
(CHEMBL373782)
Show SMILES OC(=O)c1ccc(o1)-c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H17NO5/c27-23(17-4-2-1-3-5-17)18-10-12-20(13-11-18)26-24(28)19-8-6-16(7-9-19)21-14-15-22(31-21)25(29)30/h1-15H,(H,26,28)(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
7.00E+4n/an/an/an/an/an/an/an/a



Universit£ Claude Bernard Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle creatine kinase-MgATP complex by pH-stat assay


Citation and Details
More data for this
Ligand-Target Pair