Compile Data Set for Download or QSAR
Found 6
TargetCreatine kinase M-type(Oryctolagus cuniculus)
Universit£ Claude Bernard Lyon 1

Curated by ChEMBL
LigandPNGBDBM50370908(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)
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of rabbit muscle creatine kinase by pH-stat assayMore data for this Ligand-Target Pair
TargetCreatine kinase M-type(Oryctolagus cuniculus)
Universit£ Claude Bernard Lyon 1

Curated by ChEMBL
LigandPNGBDBM50370908(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)
Affinity DataKi:  7.00E+4nMAssay Description:Inhibition of rabbit muscle creatine kinase-MgATP complex by pH-stat assayMore data for this Ligand-Target Pair
TargetCreatine kinase M-type(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50291548(CHEMBL8056 | Phosphocreatine analogue)
Show SMILES CN(CC([O-])=O)C(=[NH2+])CP([O-])([O-])=O
Show InChI InChI=1S/C5H11N2O5P/c1-7(2-5(8)9)4(6)3-13(10,11)12/h6H,2-3H2,1H3,(H,8,9)(H2,10,11,12)/p-2
Affinity DataKi:  1.40E+6nMAssay Description:Compound was tested for inhibition against Creatine kinase (CK)More data for this Ligand-Target Pair
TargetCreatine kinase M-type(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50291549(CHEMBL8265 | Phosphocreatine analogue)
Show SMILES [O-]C(=O)CNC(=[NH2+])CP([O-])([O-])=O
Show InChI InChI=1S/C4H9N2O5P/c5-3(2-12(9,10)11)6-1-4(7)8/h1-2H2,(H2,5,6)(H,7,8)(H2,9,10,11)/p-2
Affinity DataKi:  5.70E+6nMAssay Description:Compound was tested for inhibition against Creatine kinase(CK)More data for this Ligand-Target Pair
TargetCreatine kinase M-type(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50291547(CHEMBL8013 | Phosphocreatine analogue)
Show SMILES [O-]C(=O)CCNC(=[NH2+])CP([O-])([O-])=O
Show InChI InChI=1S/C5H11N2O5P/c6-4(3-13(10,11)12)7-2-1-5(8)9/h1-3H2,(H2,6,7)(H,8,9)(H2,10,11,12)/p-2
Affinity DataKi:  3.70E+7nMAssay Description:Compound was tested for inhibition against Creatine kinase (CK)More data for this Ligand-Target Pair
TargetCreatine kinase M-type(Oryctolagus cuniculus)
Universit£ Claude Bernard Lyon 1

Curated by ChEMBL
LigandPNGBDBM50370908(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)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of rabbit muscle creatine kinase by pH-stat assayMore data for this Ligand-Target Pair