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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.5
BDBM286299

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM286299
PNG
(US11220518, Ex. No. H7 | US11780853, Example H7 | ...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C24H35FN8O2/c1-14-12-32(15(2)11-31(14)17-6-8-35-9-7-17)23(34)33-13-18-20(24(33,4)5)29-30-21(18)28-22-19(25)10-26-16(3)27-22/h10,14-15,17H,6-9,11-13H2,1-5H3,(H2,26,27,28,29,30)/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
22n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))
BDBM286299
PNG
(US11220518, Ex. No. H7 | US11780853, Example H7 | ...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C24H35FN8O2/c1-14-12-32(15(2)11-31(14)17-6-8-35-9-7-17)23(34)33-13-18-20(24(33,4)5)29-30-21(18)28-22-19(25)10-26-16(3)27-22/h10,14-15,17H,6-9,11-13H2,1-5H3,(H2,26,27,28,29,30)/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
22n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM286299
PNG
(US11220518, Ex. No. H7 | US11780853, Example H7 | ...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C24H35FN8O2/c1-14-12-32(15(2)11-31(14)17-6-8-35-9-7-17)23(34)33-13-18-20(24(33,4)5)29-30-21(18)28-22-19(25)10-26-16(3)27-22/h10,14-15,17H,6-9,11-13H2,1-5H3,(H2,26,27,28,29,30)/t14-,15+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
22n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair