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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C beta type' and Ligand = 'BDBM50052039'   
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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50052039
PNG
(18-hydroxymethyl-(18S)-17-oxa-4,14,21-triazahexacy...)
Show SMILES OC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H23N3O4/c30-15-16-9-10-28-13-19(17-5-1-3-7-21(17)28)23-24(26(32)27-25(23)31)20-14-29(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,13-14,16,30H,9-12,15H2,(H,27,31,32)/t16-/m0/s1
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50052039
PNG
(18-hydroxymethyl-(18S)-17-oxa-4,14,21-triazahexacy...)
Show SMILES OC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H23N3O4/c30-15-16-9-10-28-13-19(17-5-1-3-7-21(17)28)23-24(26(32)27-25(23)31)20-14-29(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,13-14,16,30H,9-12,15H2,(H,27,31,32)/t16-/m0/s1
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Article
n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 5: 2093-2096 (1995)


Article DOI: 10.1016/0960-894X(95)00350-3
BindingDB Entry DOI: 10.7270/Q2D50MXM
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50052039
PNG
(18-hydroxymethyl-(18S)-17-oxa-4,14,21-triazahexacy...)
Show SMILES OC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H23N3O4/c30-15-16-9-10-28-13-19(17-5-1-3-7-21(17)28)23-24(26(32)27-25(23)31)20-14-29(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,13-14,16,30H,9-12,15H2,(H,27,31,32)/t16-/m0/s1
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair