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SMILES: Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1

InChI Key: InChIKey=DCDVPUXSYIJFEH-IIBYNOLFSA-N

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 8 hits for monomerid = 3235   
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))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 100n/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))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 50n/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 epsilon type


(Homo sapiens (Human))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 310n/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 delta type


(Homo sapiens (Human))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a<50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Protein kinase C delta


Bioorg Med Chem Lett 5: 1839-1842 (1995)


Article DOI: 10.1016/0960-894X(95)00303-B
BindingDB Entry DOI: 10.7270/Q2QN66R9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Protein kinase C alpha


Bioorg Med Chem Lett 5: 1839-1842 (1995)


Article DOI: 10.1016/0960-894X(95)00303-B
BindingDB Entry DOI: 10.7270/Q2QN66R9
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Protein kinase C beta 2


Bioorg Med Chem Lett 5: 1839-1842 (1995)


Article DOI: 10.1016/0960-894X(95)00303-B
BindingDB Entry DOI: 10.7270/Q2QN66R9
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Protein kinase C epsilon


Bioorg Med Chem Lett 5: 1839-1842 (1995)


Article DOI: 10.1016/0960-894X(95)00303-B
BindingDB Entry DOI: 10.7270/Q2QN66R9
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3235
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
Show InChI InChI=1S/C27H23F3N2O10S/c28-27(29,30)43(40,41)32-17-4-1-5-18(34)22(17)24(37)23-19(35)11-14(12-20(23)36)26(39)42-21-6-2-3-16(21)31-25(38)13-7-9-15(33)10-8-13/h1,4-5,7-12,16,21,32-36H,2-3,6H2,(H,31,38)/t16-,21-/m1/s1
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n/an/a 350n/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