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BDBM50055677 4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (1R,2R,4S)-4-aminomethyl-2-(4-hydroxy-benzoylamino)-cyclopentyl ester::CHEMBL307708

SMILES: NC[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=BPNNZZBLGSVSAA-PFDOBSCMSA-N

Data: 9 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 9 hits for monomerid = 50055677   
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))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[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/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 20n/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)

More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[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/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 3n/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 eta isozyme


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[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/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 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 beta 1 isozyme


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[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/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[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/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 30n/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)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[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/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 170n/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)

More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[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/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 6n/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)

More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[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/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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PubMed
n/an/a 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 beta 2 isozyme


J Med Chem 40: 226-35 (1997)

More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[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/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 2.80E+3n/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)

More data for this
Ligand-Target Pair