BDBM3212 (3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 4-[(2,6-dihydroxyphenyl)carbonyl]-3,5-dihydroxybenzoate::Modified Benzophenone Ring, Balanol Analog 12::trans-4-[3,5-Dihydroxy-4-(2,6-dihydroxybenzoyloxy)]-3-(4-hydroxybenzamido)azepane

SMILES: Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1

InChI Key: InChIKey=FZNVHMDFJAWXTJ-VGOFRKELSA-N

Data: 4 IC50

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 4 hits for monomerid = 3212   

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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM3212 ((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 4-[...) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1 |r| Show InChI InChI=1S/C27H26N2O9/c30-16-8-6-14(7-9-16)26(36)29-17-13-28-10-2-5-22(17)38-27(37)15-11-20(33)24(21(34)12-15)25(35)23-18(31)3-1-4-19(23)32/h1,3-4,6-9,11-12,17,22,28,30-34H,2,5,10,13H2,(H,29,36)/t17-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	860	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
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM3212 ((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 4-[...) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1 |r| Show InChI InChI=1S/C27H26N2O9/c30-16-8-6-14(7-9-16)26(36)29-17-13-28-10-2-5-22(17)38-27(37)15-11-20(33)24(21(34)12-15)25(35)23-18(31)3-1-4-19(23)32/h1,3-4,6-9,11-12,17,22,28,30-34H,2,5,10,13H2,(H,29,36)/t17-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	440	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
Protein kinase C, epsilon (Homo sapiens (Human))	BDBM3212 ((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 4-[...) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1 |r| Show InChI InChI=1S/C27H26N2O9/c30-16-8-6-14(7-9-16)26(36)29-17-13-28-10-2-5-22(17)38-27(37)15-11-20(33)24(21(34)12-15)25(35)23-18(31)3-1-4-19(23)32/h1,3-4,6-9,11-12,17,22,28,30-34H,2,5,10,13H2,(H,29,36)/t17-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+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
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM3212 ((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 4-[...) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1 |r| Show InChI InChI=1S/C27H26N2O9/c30-16-8-6-14(7-9-16)26(36)29-17-13-28-10-2-5-22(17)38-27(37)15-11-20(33)24(21(34)12-15)25(35)23-18(31)3-1-4-19(23)32/h1,3-4,6-9,11-12,17,22,28,30-34H,2,5,10,13H2,(H,29,36)/t17-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60E+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