BDBM3184 2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzene)amido]-1-[(4-methylbenzene)sulfonyl]azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid::Balanol Analog 42

SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1

InChI Key: InChIKey=HYMQDYSTAVHSCZ-VAVYLYDRSA-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 = 3184   

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))	BDBM3184 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C35H32N2O12S/c1-19-7-13-23(14-8-19)50(47,48)37-15-3-6-29(25(18-37)36-33(43)20-9-11-22(38)12-10-20)49-35(46)21-16-27(40)31(28(41)17-21)32(42)30-24(34(44)45)4-2-5-26(30)39/h2,4-5,7-14,16-17,25,29,38-41H,3,6,15,18H2,1H3,(H,36,43)(H,44,45)/t25-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+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 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM3184 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C35H32N2O12S/c1-19-7-13-23(14-8-19)50(47,48)37-15-3-6-29(25(18-37)36-33(43)20-9-11-22(38)12-10-20)49-35(46)21-16-27(40)31(28(41)17-21)32(42)30-24(34(44)45)4-2-5-26(30)39/h2,4-5,7-14,16-17,25,29,38-41H,3,6,15,18H2,1H3,(H,36,43)(H,44,45)/t25-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM3184 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C35H32N2O12S/c1-19-7-13-23(14-8-19)50(47,48)37-15-3-6-29(25(18-37)36-33(43)20-9-11-22(38)12-10-20)49-35(46)21-16-27(40)31(28(41)17-21)32(42)30-24(34(44)45)4-2-5-26(30)39/h2,4-5,7-14,16-17,25,29,38-41H,3,6,15,18H2,1H3,(H,36,43)(H,44,45)/t25-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	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 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM3184 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C35H32N2O12S/c1-19-7-13-23(14-8-19)50(47,48)37-15-3-6-29(25(18-37)36-33(43)20-9-11-22(38)12-10-20)49-35(46)21-16-27(40)31(28(41)17-21)32(42)30-24(34(44)45)4-2-5-26(30)39/h2,4-5,7-14,16-17,25,29,38-41H,3,6,15,18H2,1H3,(H,36,43)(H,44,45)/t25-,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM3184 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C35H32N2O12S/c1-19-7-13-23(14-8-19)50(47,48)37-15-3-6-29(25(18-37)36-33(43)20-9-11-22(38)12-10-20)49-35(46)21-16-27(40)31(28(41)17-21)32(42)30-24(34(44)45)4-2-5-26(30)39/h2,4-5,7-14,16-17,25,29,38-41H,3,6,15,18H2,1H3,(H,36,43)(H,44,45)/t25-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+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 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Protein kinase C, epsilon (Homo sapiens (Human))	BDBM3184 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C35H32N2O12S/c1-19-7-13-23(14-8-19)50(47,48)37-15-3-6-29(25(18-37)36-33(43)20-9-11-22(38)12-10-20)49-35(46)21-16-27(40)31(28(41)17-21)32(42)30-24(34(44)45)4-2-5-26(30)39/h2,4-5,7-14,16-17,25,29,38-41H,3,6,15,18H2,1H3,(H,36,43)(H,44,45)/t25-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+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 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Protein kinase C, eta (Homo sapiens (Human))	BDBM3184 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C35H32N2O12S/c1-19-7-13-23(14-8-19)50(47,48)37-15-3-6-29(25(18-37)36-33(43)20-9-11-22(38)12-10-20)49-35(46)21-16-27(40)31(28(41)17-21)32(42)30-24(34(44)45)4-2-5-26(30)39/h2,4-5,7-14,16-17,25,29,38-41H,3,6,15,18H2,1H3,(H,36,43)(H,44,45)/t25-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	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 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair
Protein kinase C, gamma (Homo sapiens (Human))	BDBM3184 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C35H32N2O12S/c1-19-7-13-23(14-8-19)50(47,48)37-15-3-6-29(25(18-37)36-33(43)20-9-11-22(38)12-10-20)49-35(46)21-16-27(40)31(28(41)17-21)32(42)30-24(34(44)45)4-2-5-26(30)39/h2,4-5,7-14,16-17,25,29,38-41H,3,6,15,18H2,1H3,(H,36,43)(H,44,45)/t25-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 39: 5215-27 (1996) Article DOI: 10.1021/jm960581w BindingDB Entry DOI: 10.7270/Q2G73BVV
					More data for this Ligand-Target Pair