BDBM50327944 (1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3-(4-phenyl-butyl)-2,6,10,17-tetraoxa-tricyclo[11.3.1.1'1,5']octadecane-7,11-dione::CHEMBL1258117

SMILES: CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2

InChI Key: InChIKey=MCIAOHYVDXDCLF-OMZVUVJISA-N

Data: 8 KI

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 = 50327944   

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 theta type (Homo sapiens (Human))	BDBM50327944 ((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/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 PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKCtheta C1B peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50327944 ((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/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 PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC delta C1B peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C, eta (Homo sapiens (Human))	BDBM50327944 ((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKCeta C1B peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C, epsilon (Homo sapiens (Human))	BDBM50327944 ((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/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 PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKCepsilon C1B peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C, gamma (Homo sapiens (Human))	BDBM50327944 ((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/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 PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC gamma C1A peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50327944 ((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/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 PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC alpha C1A peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50327944 ((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/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 PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC delta C1A peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM50327944 ((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...) Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |r| Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/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 PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to PKC beta C1A peptide				Bioorg Med Chem Lett 20: 6064-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.051 BindingDB Entry DOI: 10.7270/Q2FJ2H04
					More data for this Ligand-Target Pair