BDBM50493217 DEMETHOXYDEBROMOAPLYSIATOXIN

SMILES: [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C

InChI Key: InChIKey=XSJFPSCYMJFDNI-QGKMEOSMSA-N

Data: 7 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 7 hits for monomerid = 50493217   

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, PKC; classical/novel (Homo sapiens (Human))	BDBM50493217 (DEMETHOXYDEBROMOAPLYSIATOXIN) Show SMILES [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r| Show InChI InChI=1S/C31H46O9/c1-18(9-7-10-22-11-8-12-23(33)13-22)28-20(3)25-16-31(39-28)29(5,6)15-19(2)30(36,40-31)17-27(35)37-24(21(4)32)14-26(34)38-25/h8,11-13,18-21,24-25,28,32-33,36H,7,9-10,14-17H2,1-6H3/t18-,19+,20-,21+,24+,25-,28+,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from PKCeta C1B domain (unknown origin)				Bioorg Med Chem Lett 23: 4319-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.096 BindingDB Entry DOI: 10.7270/Q2VD72CX
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50493217 (DEMETHOXYDEBROMOAPLYSIATOXIN) Show SMILES [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r| Show InChI InChI=1S/C31H46O9/c1-18(9-7-10-22-11-8-12-23(33)13-22)28-20(3)25-16-31(39-28)29(5,6)15-19(2)30(36,40-31)17-27(35)37-24(21(4)32)14-26(34)38-25/h8,11-13,18-21,24-25,28,32-33,36H,7,9-10,14-17H2,1-6H3/t18-,19+,20-,21+,24+,25-,28+,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from PKCtheta C1B domain (unknown origin)				Bioorg Med Chem Lett 23: 4319-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.096 BindingDB Entry DOI: 10.7270/Q2VD72CX
					More data for this Ligand-Target Pair
Protein kinase C, PKC; classical/novel (Homo sapiens (Human))	BDBM50493217 (DEMETHOXYDEBROMOAPLYSIATOXIN) Show SMILES [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r| Show InChI InChI=1S/C31H46O9/c1-18(9-7-10-22-11-8-12-23(33)13-22)28-20(3)25-16-31(39-28)29(5,6)15-19(2)30(36,40-31)17-27(35)37-24(21(4)32)14-26(34)38-25/h8,11-13,18-21,24-25,28,32-33,36H,7,9-10,14-17H2,1-6H3/t18-,19+,20-,21+,24+,25-,28+,30-,31-/m0/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	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from PKCdelta C1B domain (unknown origin)				Bioorg Med Chem Lett 23: 4319-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.096 BindingDB Entry DOI: 10.7270/Q2VD72CX
					More data for this Ligand-Target Pair
Protein kinase C, PKC; classical/novel (Homo sapiens (Human))	BDBM50493217 (DEMETHOXYDEBROMOAPLYSIATOXIN) Show SMILES [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r| Show InChI InChI=1S/C31H46O9/c1-18(9-7-10-22-11-8-12-23(33)13-22)28-20(3)25-16-31(39-28)29(5,6)15-19(2)30(36,40-31)17-27(35)37-24(21(4)32)14-26(34)38-25/h8,11-13,18-21,24-25,28,32-33,36H,7,9-10,14-17H2,1-6H3/t18-,19+,20-,21+,24+,25-,28+,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from PKCgamma C1A domain (unknown origin)				Bioorg Med Chem Lett 23: 4319-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.096 BindingDB Entry DOI: 10.7270/Q2VD72CX
					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM50493217 (DEMETHOXYDEBROMOAPLYSIATOXIN) Show SMILES [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r| Show InChI InChI=1S/C31H46O9/c1-18(9-7-10-22-11-8-12-23(33)13-22)28-20(3)25-16-31(39-28)29(5,6)15-19(2)30(36,40-31)17-27(35)37-24(21(4)32)14-26(34)38-25/h8,11-13,18-21,24-25,28,32-33,36H,7,9-10,14-17H2,1-6H3/t18-,19+,20-,21+,24+,25-,28+,30-,31-/m0/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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from PKCalpha C1A domain (unknown origin)				Bioorg Med Chem Lett 23: 4319-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.096 BindingDB Entry DOI: 10.7270/Q2VD72CX
					More data for this Ligand-Target Pair
Protein kinase C, PKC; classical/novel (Homo sapiens (Human))	BDBM50493217 (DEMETHOXYDEBROMOAPLYSIATOXIN) Show SMILES [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r| Show InChI InChI=1S/C31H46O9/c1-18(9-7-10-22-11-8-12-23(33)13-22)28-20(3)25-16-31(39-28)29(5,6)15-19(2)30(36,40-31)17-27(35)37-24(21(4)32)14-26(34)38-25/h8,11-13,18-21,24-25,28,32-33,36H,7,9-10,14-17H2,1-6H3/t18-,19+,20-,21+,24+,25-,28+,30-,31-/m0/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from PKCepsilon C1B domain (unknown origin)				Bioorg Med Chem Lett 23: 4319-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.096 BindingDB Entry DOI: 10.7270/Q2VD72CX
					More data for this Ligand-Target Pair
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM50493217 (DEMETHOXYDEBROMOAPLYSIATOXIN) Show SMILES [H][C@]12C[C@]3(O[C@]([H])([C@@H](C)CCCc4cccc(O)c4)[C@H]1C)O[C@@](O)(CC(=O)O[C@]([H])(CC(=O)O2)[C@@H](C)O)[C@H](C)CC3(C)C |r| Show InChI InChI=1S/C31H46O9/c1-18(9-7-10-22-11-8-12-23(33)13-22)28-20(3)25-16-31(39-28)29(5,6)15-19(2)30(36,40-31)17-27(35)37-24(21(4)32)14-26(34)38-25/h8,11-13,18-21,24-25,28,32-33,36H,7,9-10,14-17H2,1-6H3/t18-,19+,20-,21+,24+,25-,28+,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from PKCbeta C1A domain (unknown origin)				Bioorg Med Chem Lett 23: 4319-23 (2013) Article DOI: 10.1016/j.bmcl.2013.05.096 BindingDB Entry DOI: 10.7270/Q2VD72CX
					More data for this Ligand-Target Pair