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PubMed code 21141896

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50335314
PNG
((7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](met...)
Show SMILES CN(C)CCN(C)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(cc3n2C1)C(O)=O |r|
Show InChI InChI=1S/C29H37N3O3/c1-30(2)15-16-31(3)22-18-32-25-17-21(29(33)34)13-14-23(25)27(20-9-5-4-6-10-20)28(32)24-11-7-8-12-26(24)35-19-22/h7-8,11-14,17,20,22H,4-6,9-10,15-16,18-19H2,1-3H3,(H,33,34)/t22-/m1/s1
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CHEMBL
MMDB
PC cid
PC sid
PDB
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Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



P. Angeletti SpA (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP12


J Med Chem 54: 289-301 (2011)


Article DOI: 10.1021/jm1013105
BindingDB Entry DOI: 10.7270/Q2FF3TBP
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50335314
PNG
((7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](met...)
Show SMILES CN(C)CCN(C)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(cc3n2C1)C(O)=O |r|
Show InChI InChI=1S/C29H37N3O3/c1-30(2)15-16-31(3)22-18-32-25-17-21(29(33)34)13-14-23(25)27(20-9-5-4-6-10-20)28(32)24-11-7-8-12-26(24)35-19-22/h7-8,11-14,17,20,22H,4-6,9-10,15-16,18-19H2,1-3H3,(H,33,34)/t22-/m1/s1
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antibodypedia
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



P. Angeletti SpA (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


J Med Chem 54: 289-301 (2011)


Article DOI: 10.1021/jm1013105
BindingDB Entry DOI: 10.7270/Q2FF3TBP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%