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BDBM50285240 4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (3R,5R)-4-amino-2-((S)-4-hydroxy-benzoylamino)-cyclopentyl ester::CHEMBL417051

SMILES: N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

InChI Key: InChIKey=FCVHMDURXUOCFY-DAESXHAQSA-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 = 50285240   
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, eta


(Homo sapiens (Human))
BDBM50285240
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17+,21-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Protein Kinase C eta


Bioorg Med Chem Lett 5: 2155-2160 (1995)


Article DOI: 10.1016/0960-894X(95)00367-3
BindingDB Entry DOI: 10.7270/Q22N52RC
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50285240
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17+,21-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C beta 1


Bioorg Med Chem Lett 5: 2155-2160 (1995)


Article DOI: 10.1016/0960-894X(95)00367-3
BindingDB Entry DOI: 10.7270/Q22N52RC
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50285240
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17+,21-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C alpha


Bioorg Med Chem Lett 5: 2155-2160 (1995)


Article DOI: 10.1016/0960-894X(95)00367-3
BindingDB Entry DOI: 10.7270/Q22N52RC
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50285240
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17+,21-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C beta 1


Bioorg Med Chem Lett 5: 2155-2160 (1995)


Article DOI: 10.1016/0960-894X(95)00367-3
BindingDB Entry DOI: 10.7270/Q22N52RC
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50285240
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17+,21-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C delta


Bioorg Med Chem Lett 5: 2155-2160 (1995)


Article DOI: 10.1016/0960-894X(95)00367-3
BindingDB Entry DOI: 10.7270/Q22N52RC
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50285240
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17+,21-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C gamma


Bioorg Med Chem Lett 5: 2155-2160 (1995)


Article DOI: 10.1016/0960-894X(95)00367-3
BindingDB Entry DOI: 10.7270/Q22N52RC
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50285240
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17+,21-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C zeta


Bioorg Med Chem Lett 5: 2155-2160 (1995)


Article DOI: 10.1016/0960-894X(95)00367-3
BindingDB Entry DOI: 10.7270/Q22N52RC
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50285240
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17+,21-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C epsilon


Bioorg Med Chem Lett 5: 2155-2160 (1995)


Article DOI: 10.1016/0960-894X(95)00367-3
BindingDB Entry DOI: 10.7270/Q22N52RC
More data for this
Ligand-Target Pair