BDBM50285088 4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (R)-3-(4-hydroxy-benzoylamino)-4-methyl-azepan-4-yl ester::CHEMBL433101

SMILES: C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

InChI Key: InChIKey=USEYXZSHZLLAJS-KPURRNSFSA-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 = 50285088   

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))	BDBM50285088 (4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...) Show SMILES C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C29H28N2O10/c1-29(10-3-11-30-14-22(29)31-26(37)15-6-8-17(32)9-7-15)41-28(40)16-12-20(34)24(21(35)13-16)25(36)23-18(27(38)39)4-2-5-19(23)33/h2,4-9,12-13,22,30,32-35H,3,10-11,14H2,1H3,(H,31,37)(H,38,39)/t22-,29-/m1/s1	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	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50285088 (4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...) Show SMILES C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C29H28N2O10/c1-29(10-3-11-30-14-22(29)31-26(37)15-6-8-17(32)9-7-15)41-28(40)16-12-20(34)24(21(35)13-16)25(36)23-18(27(38)39)4-2-5-19(23)33/h2,4-9,12-13,22,30,32-35H,3,10-11,14H2,1H3,(H,31,37)(H,38,39)/t22-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/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, eta (Homo sapiens (Human))	BDBM50285088 (4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...) Show SMILES C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C29H28N2O10/c1-29(10-3-11-30-14-22(29)31-26(37)15-6-8-17(32)9-7-15)41-28(40)16-12-20(34)24(21(35)13-16)25(36)23-18(27(38)39)4-2-5-19(23)33/h2,4-9,12-13,22,30,32-35H,3,10-11,14H2,1H3,(H,31,37)(H,38,39)/t22-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50285088 (4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...) Show SMILES C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C29H28N2O10/c1-29(10-3-11-30-14-22(29)31-26(37)15-6-8-17(32)9-7-15)41-28(40)16-12-20(34)24(21(35)13-16)25(36)23-18(27(38)39)4-2-5-19(23)33/h2,4-9,12-13,22,30,32-35H,3,10-11,14H2,1H3,(H,31,37)(H,38,39)/t22-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/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, gamma (Homo sapiens (Human))	BDBM50285088 (4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...) Show SMILES C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C29H28N2O10/c1-29(10-3-11-30-14-22(29)31-26(37)15-6-8-17(32)9-7-15)41-28(40)16-12-20(34)24(21(35)13-16)25(36)23-18(27(38)39)4-2-5-19(23)33/h2,4-9,12-13,22,30,32-35H,3,10-11,14H2,1H3,(H,31,37)(H,38,39)/t22-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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, epsilon (Homo sapiens (Human))	BDBM50285088 (4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...) Show SMILES C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C29H28N2O10/c1-29(10-3-11-30-14-22(29)31-26(37)15-6-8-17(32)9-7-15)41-28(40)16-12-20(34)24(21(35)13-16)25(36)23-18(27(38)39)4-2-5-19(23)33/h2,4-9,12-13,22,30,32-35H,3,10-11,14H2,1H3,(H,31,37)(H,38,39)/t22-,29-/m1/s1	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	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50285088 (4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...) Show SMILES C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C29H28N2O10/c1-29(10-3-11-30-14-22(29)31-26(37)15-6-8-17(32)9-7-15)41-28(40)16-12-20(34)24(21(35)13-16)25(36)23-18(27(38)39)4-2-5-19(23)33/h2,4-9,12-13,22,30,32-35H,3,10-11,14H2,1H3,(H,31,37)(H,38,39)/t22-,29-/m1/s1	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	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/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 (PKC) (Homo sapiens (Human))	BDBM50285088 (4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...) Show SMILES C[C@]1(CCCNC[C@H]1NC(=O)c1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C29H28N2O10/c1-29(10-3-11-30-14-22(29)31-26(37)15-6-8-17(32)9-7-15)41-28(40)16-12-20(34)24(21(35)13-16)25(36)23-18(27(38)39)4-2-5-19(23)33/h2,4-9,12-13,22,30,32-35H,3,10-11,14H2,1H3,(H,31,37)(H,38,39)/t22-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/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