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BDBM3230 (3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl 3,5-dihydroxy-4-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)carbonyl]benzoate::Modified Benzophenone Ring, Balanol Analog 30::trans-4-[4-(2-Hydroxy-5,6,7,8-tetrahydro-1-naphthoyl)-3,5-dihydroxybenzoyloxy]-3-(4-hydroxybenzamido)pyrrolidine

SMILES: Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1

InChI Key: InChIKey=KTTKZYWEKGBVIX-HYBUGGRVSA-N

Data: 4 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 4 hits for monomerid = 3230   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3230
PNG
((3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|
Show InChI InChI=1S/C29H28N2O8/c32-18-8-5-16(6-9-18)28(37)31-20-13-30-14-24(20)39-29(38)17-11-22(34)26(23(35)12-17)27(36)25-19-4-2-1-3-15(19)7-10-21(25)33/h5-12,20,24,30,32-35H,1-4,13-14H2,(H,31,37)/t20-,24-/m1/s1
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Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3230
PNG
((3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|
Show InChI InChI=1S/C29H28N2O8/c32-18-8-5-16(6-9-18)28(37)31-20-13-30-14-24(20)39-29(38)17-11-22(34)26(23(35)12-17)27(36)25-19-4-2-1-3-15(19)7-10-21(25)33/h5-12,20,24,30,32-35H,1-4,13-14H2,(H,31,37)/t20-,24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM3230
PNG
((3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|
Show InChI InChI=1S/C29H28N2O8/c32-18-8-5-16(6-9-18)28(37)31-20-13-30-14-24(20)39-29(38)17-11-22(34)26(23(35)12-17)27(36)25-19-4-2-1-3-15(19)7-10-21(25)33/h5-12,20,24,30,32-35H,1-4,13-14H2,(H,31,37)/t20-,24-/m1/s1
PDB
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3230
PNG
((3R,4R)-4-[(4-hydroxybenzene)amido]pyrrolidin-3-yl...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|
Show InChI InChI=1S/C29H28N2O8/c32-18-8-5-16(6-9-18)28(37)31-20-13-30-14-24(20)39-29(38)17-11-22(34)26(23(35)12-17)27(36)25-19-4-2-1-3-15(19)7-10-21(25)33/h5-12,20,24,30,32-35H,1-4,13-14H2,(H,31,37)/t20-,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair