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BDBM3207 10''-Deoxybalanol, 4::2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}benzoic acid::4-trans-[4-(2-Carboxybenzoyl)-3,5-dihydroxybenzoyloxy]-3-(4-hydroxybenzamido)azepane::CHEMBL193697::Modified Benzophenone Ring, Balanol Analog 7
SMILES: OC(=O)c1ccccc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
InChI Key: InChIKey=KPJDEGAKXAUVAC-NFBKMPQASA-N
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
| Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cyclic AMP-dependent protein kinase (PKA) (Oryctolagus cuniculus (Rabbit)) | BDBM3207 (10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.90 | -11.7 | 6.30 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California, San Diego | Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol... | Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Protein Kinase C (Rattus norvegicus (rat)) | BDBM3207 (10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 640 | -8.59 | 834 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California, San Diego | Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494. | Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine)) | BDBM3207 (10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.5 | 30 |
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 | |||||||||||||
| PKC alpha and beta-2 (Homo sapiens (Human)) | BDBM3207 (10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | 7.5 | 30 |
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 alpha type (Homo sapiens (Human)) | BDBM3207 (10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 30 |
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 (Homo sapiens (Human)) | BDBM3207 (10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | 7.5 | 30 |
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 | |||||||||||||
