BDBM3229 (3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 3,5-dihydroxy-4-[(1-hydroxynaphthalen-2-yl)carbonyl]benzoate::4-trans-[4-(1-Hydroxy-2-naphthoyl)-3,5-dihydroxybenzoyloxy]-3-(4-hydroxybenzamido)azepane::Modified Benzophenone Ring, Balanol Analog 29

SMILES: Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1

InChI Key: InChIKey=ZAJQYUWPDCAPGD-ZEQKJWHPSA-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 = 3229   

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))	BDBM3229 ((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 3,5...) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1 |r| Show InChI InChI=1S/C31H28N2O8/c34-20-10-7-18(8-11-20)30(39)33-23-16-32-13-3-6-26(23)41-31(40)19-14-24(35)27(25(36)15-19)29(38)22-12-9-17-4-1-2-5-21(17)28(22)37/h1-2,4-5,7-12,14-15,23,26,32,34-37H,3,6,13,16H2,(H,33,39)/t23-,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM3229 ((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 3,5...) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1 |r| Show InChI InChI=1S/C31H28N2O8/c34-20-10-7-18(8-11-20)30(39)33-23-16-32-13-3-6-26(23)41-31(40)19-14-24(35)27(25(36)15-19)29(38)22-12-9-17-4-1-2-5-21(17)28(22)37/h1-2,4-5,7-12,14-15,23,26,32,34-37H,3,6,13,16H2,(H,33,39)/t23-,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM3229 ((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 3,5...) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1 |r| Show InChI InChI=1S/C31H28N2O8/c34-20-10-7-18(8-11-20)30(39)33-23-16-32-13-3-6-26(23)41-31(40)19-14-24(35)27(25(36)15-19)29(38)22-12-9-17-4-1-2-5-21(17)28(22)37/h1-2,4-5,7-12,14-15,23,26,32,34-37H,3,6,13,16H2,(H,33,39)/t23-,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM3229 ((3R,4R)-3-[(4-hydroxybenzene)amido]azepan-4-yl 3,5...) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1 |r| Show InChI InChI=1S/C31H28N2O8/c34-20-10-7-18(8-11-20)30(39)33-23-16-32-13-3-6-26(23)41-31(40)19-14-24(35)27(25(36)15-19)29(38)22-12-9-17-4-1-2-5-21(17)28(22)37/h1-2,4-5,7-12,14-15,23,26,32,34-37H,3,6,13,16H2,(H,33,39)/t23-,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
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