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BDBM50055679 4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (1R,2R)-2-(4-hydroxy-benzoylamino)-4-(2,2,2-trifluoro-acetyl)-cyclopentyl ester::CHEMBL262980

SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F

InChI Key: InChIKey=KLTAXINXABHYMC-XBDPRNKDSA-N

Data: 8 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 8 hits for monomerid = 50055679   
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))
BDBM50055679
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H22F3NO11/c30-29(31,32)25(39)13-8-17(33-26(40)12-4-6-15(34)7-5-12)21(11-13)44-28(43)14-9-19(36)23(20(37)10-14)24(38)22-16(27(41)42)2-1-3-18(22)35/h1-7,9-10,13,17,21,34-37H,8,11H2,(H,33,40)(H,41,42)/t13?,17-,21-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C alpha isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055679
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H22F3NO11/c30-29(31,32)25(39)13-8-17(33-26(40)12-4-6-15(34)7-5-12)21(11-13)44-28(43)14-9-19(36)23(20(37)10-14)24(38)22-16(27(41)42)2-1-3-18(22)35/h1-7,9-10,13,17,21,34-37H,8,11H2,(H,33,40)(H,41,42)/t13?,17-,21-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 1 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055679
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H22F3NO11/c30-29(31,32)25(39)13-8-17(33-26(40)12-4-6-15(34)7-5-12)21(11-13)44-28(43)14-9-19(36)23(20(37)10-14)24(38)22-16(27(41)42)2-1-3-18(22)35/h1-7,9-10,13,17,21,34-37H,8,11H2,(H,33,40)(H,41,42)/t13?,17-,21-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055679
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H22F3NO11/c30-29(31,32)25(39)13-8-17(33-26(40)12-4-6-15(34)7-5-12)21(11-13)44-28(43)14-9-19(36)23(20(37)10-14)24(38)22-16(27(41)42)2-1-3-18(22)35/h1-7,9-10,13,17,21,34-37H,8,11H2,(H,33,40)(H,41,42)/t13?,17-,21-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50055679
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H22F3NO11/c30-29(31,32)25(39)13-8-17(33-26(40)12-4-6-15(34)7-5-12)21(11-13)44-28(43)14-9-19(36)23(20(37)10-14)24(38)22-16(27(41)42)2-1-3-18(22)35/h1-7,9-10,13,17,21,34-37H,8,11H2,(H,33,40)(H,41,42)/t13?,17-,21-/m1/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C zeta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50055679
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H22F3NO11/c30-29(31,32)25(39)13-8-17(33-26(40)12-4-6-15(34)7-5-12)21(11-13)44-28(43)14-9-19(36)23(20(37)10-14)24(38)22-16(27(41)42)2-1-3-18(22)35/h1-7,9-10,13,17,21,34-37H,8,11H2,(H,33,40)(H,41,42)/t13?,17-,21-/m1/s1
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PubMed
n/an/a 250n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C epsilon isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50055679
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H22F3NO11/c30-29(31,32)25(39)13-8-17(33-26(40)12-4-6-15(34)7-5-12)21(11-13)44-28(43)14-9-19(36)23(20(37)10-14)24(38)22-16(27(41)42)2-1-3-18(22)35/h1-7,9-10,13,17,21,34-37H,8,11H2,(H,33,40)(H,41,42)/t13?,17-,21-/m1/s1
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Article
PubMed
n/an/a 260n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C gamma isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50055679
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CC(C[C@H]1NC(=O)c1ccc(O)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C29H22F3NO11/c30-29(31,32)25(39)13-8-17(33-26(40)12-4-6-15(34)7-5-12)21(11-13)44-28(43)14-9-19(36)23(20(37)10-14)24(38)22-16(27(41)42)2-1-3-18(22)35/h1-7,9-10,13,17,21,34-37H,8,11H2,(H,33,40)(H,41,42)/t13?,17-,21-/m1/s1
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C delta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair