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BDBM50285087 (R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzoylamino)-pyrrolidin-3-ylcarbamoyl]-benzoyl}-3-hydroxy-benzoic acid::CHEMBL59677

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

InChI Key: InChIKey=STEGBXHZVWLLAP-IAGOWNOFSA-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 = 50285087   
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))
BDBM50285087
PNG
((R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzo...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H23N3O9/c30-14-6-4-12(5-7-14)24(35)28-16-10-27-11-17(16)29-25(36)13-8-19(32)22(20(33)9-13)23(34)21-15(26(37)38)2-1-3-18(21)31/h1-9,16-17,27,30-33H,10-11H2,(H,28,35)(H,29,36)(H,37,38)/t16-,17-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C eta


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50285087
PNG
((R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzo...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H23N3O9/c30-14-6-4-12(5-7-14)24(35)28-16-10-27-11-17(16)29-25(36)13-8-19(32)22(20(33)9-13)23(34)21-15(26(37)38)2-1-3-18(21)31/h1-9,16-17,27,30-33H,10-11H2,(H,28,35)(H,29,36)(H,37,38)/t16-,17-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50285087
PNG
((R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzo...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H23N3O9/c30-14-6-4-12(5-7-14)24(35)28-16-10-27-11-17(16)29-25(36)13-8-19(32)22(20(33)9-13)23(34)21-15(26(37)38)2-1-3-18(21)31/h1-9,16-17,27,30-33H,10-11H2,(H,28,35)(H,29,36)(H,37,38)/t16-,17-/m1/s1
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Article
n/an/a 920n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50285087
PNG
((R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzo...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H23N3O9/c30-14-6-4-12(5-7-14)24(35)28-16-10-27-11-17(16)29-25(36)13-8-19(32)22(20(33)9-13)23(34)21-15(26(37)38)2-1-3-18(21)31/h1-9,16-17,27,30-33H,10-11H2,(H,28,35)(H,29,36)(H,37,38)/t16-,17-/m1/s1
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Article
n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50285087
PNG
((R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzo...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H23N3O9/c30-14-6-4-12(5-7-14)24(35)28-16-10-27-11-17(16)29-25(36)13-8-19(32)22(20(33)9-13)23(34)21-15(26(37)38)2-1-3-18(21)31/h1-9,16-17,27,30-33H,10-11H2,(H,28,35)(H,29,36)(H,37,38)/t16-,17-/m1/s1
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Article
n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50285087
PNG
((R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzo...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H23N3O9/c30-14-6-4-12(5-7-14)24(35)28-16-10-27-11-17(16)29-25(36)13-8-19(32)22(20(33)9-13)23(34)21-15(26(37)38)2-1-3-18(21)31/h1-9,16-17,27,30-33H,10-11H2,(H,28,35)(H,29,36)(H,37,38)/t16-,17-/m1/s1
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Article
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C delta


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50285087
PNG
((R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzo...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H23N3O9/c30-14-6-4-12(5-7-14)24(35)28-16-10-27-11-17(16)29-25(36)13-8-19(32)22(20(33)9-13)23(34)21-15(26(37)38)2-1-3-18(21)31/h1-9,16-17,27,30-33H,10-11H2,(H,28,35)(H,29,36)(H,37,38)/t16-,17-/m1/s1
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Article
n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C gamma


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50285087
PNG
((R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzo...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H23N3O9/c30-14-6-4-12(5-7-14)24(35)28-16-10-27-11-17(16)29-25(36)13-8-19(32)22(20(33)9-13)23(34)21-15(26(37)38)2-1-3-18(21)31/h1-9,16-17,27,30-33H,10-11H2,(H,28,35)(H,29,36)(H,37,38)/t16-,17-/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C zeta


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair