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BDBM36604 5'-Deoxybalanol, 7

SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccccc1

InChI Key: InChIKey=YQURACZVYZXGEN-XMSQKQJNSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 36604   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM36604
PNG
(5'-Deoxybalanol, 7)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H26N2O9/c31-19-9-4-8-17(27(36)37)23(19)25(34)24-20(32)12-16(13-21(24)33)28(38)39-22-10-5-11-29-14-18(22)30-26(35)15-6-2-1-3-7-15/h1-4,6-9,12-13,18,22,29,31-33H,5,10-11,14H2,(H,30,35)(H,36,37)/t18-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.5 -11.7 5.70n/an/an/an/a7.530



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
Protein Kinase C


(Rattus norvegicus (rat))
BDBM36604
PNG
(5'-Deoxybalanol, 7)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H26N2O9/c31-19-9-4-8-17(27(36)37)23(19)25(34)24-20(32)12-16(13-21(24)33)28(38)39-22-10-5-11-29-14-18(22)30-26(35)15-6-2-1-3-7-15/h1-4,6-9,12-13,18,22,29,31-33H,5,10-11,14H2,(H,30,35)(H,36,37)/t18-,22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
69 -9.93 95n/an/an/an/a7.530



University of California, San Diego



Assay Description
Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair