BindingDB logo
myBDB logout

BDBM3217 3-hydroxy-2-{[4-({[(1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl]oxy}carbonyl)phenyl]carbonyl}benzoic acid::Modified Benzophenone Ring, Balanol Analog 17::trans-1-[4-(2-Carboxy-6-hydroxybenzoyl)benzoyloxy]-2-(4-hydroxybenzamido)cyclopentane

SMILES: OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1

InChI Key: InChIKey=IDYKIRFVJVFVPN-IFMALSPDSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 3217   
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))
BDBM3217
PNG
(3-hydroxy-2-{[4-({[(1R,2R)-2-[(4-hydroxybenzene)am...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO8/c29-18-13-11-16(12-14-18)25(32)28-20-4-2-6-22(20)36-27(35)17-9-7-15(8-10-17)24(31)23-19(26(33)34)3-1-5-21(23)30/h1,3,5,7-14,20,22,29-30H,2,4,6H2,(H,28,32)(H,33,34)/t20-,22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.40E+4n/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 (PKA)


(Bos taurus (bovine))
BDBM3217
PNG
(3-hydroxy-2-{[4-({[(1R,2R)-2-[(4-hydroxybenzene)am...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO8/c29-18-13-11-16(12-14-18)25(32)28-20-4-2-6-22(20)36-27(35)17-9-7-15(8-10-17)24(31)23-19(26(33)34)3-1-5-21(23)30/h1,3,5,7-14,20,22,29-30H,2,4,6H2,(H,28,32)(H,33,34)/t20-,22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/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


(Homo sapiens (Human))
BDBM3217
PNG
(3-hydroxy-2-{[4-({[(1R,2R)-2-[(4-hydroxybenzene)am...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO8/c29-18-13-11-16(12-14-18)25(32)28-20-4-2-6-22(20)36-27(35)17-9-7-15(8-10-17)24(31)23-19(26(33)34)3-1-5-21(23)30/h1,3,5,7-14,20,22,29-30H,2,4,6H2,(H,28,32)(H,33,34)/t20-,22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.00E+4n/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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3217
PNG
(3-hydroxy-2-{[4-({[(1R,2R)-2-[(4-hydroxybenzene)am...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO8/c29-18-13-11-16(12-14-18)25(32)28-20-4-2-6-22(20)36-27(35)17-9-7-15(8-10-17)24(31)23-19(26(33)34)3-1-5-21(23)30/h1,3,5,7-14,20,22,29-30H,2,4,6H2,(H,28,32)(H,33,34)/t20-,22-/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 4.50E+3n/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