BDBM92595 DAG-lactone (130C045)

SMILES: CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1

InChI Key: InChIKey=FYPSFKVUNBXRFF-BOPFTXTBSA-N

Data: 4 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 4 hits for monomerid = 92595   

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 delta type (Homo sapiens (Human))	BDBM92595 (DAG-lactone (130C045)) Show SMILES CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-3-15(4-8-18)11-17-12-22(13-25,31-21(17)27)14-30-20(26)16-5-9-19(10-6-16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.54	-11.7	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM92595 (DAG-lactone (130C045)) Show SMILES CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-3-15(4-8-18)11-17-12-22(13-25,31-21(17)27)14-30-20(26)16-5-9-19(10-6-16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	-7.16	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM92595 (DAG-lactone (130C045)) Show SMILES CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-3-15(4-8-18)11-17-12-22(13-25,31-21(17)27)14-30-20(26)16-5-9-19(10-6-16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.26E+4	-6.18	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK beta (Homo sapiens (Human))	BDBM92595 (DAG-lactone (130C045)) Show SMILES CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-3-15(4-8-18)11-17-12-22(13-25,31-21(17)27)14-30-20(26)16-5-9-19(10-6-16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.26E+4	-6.18	n/a	n/a	n/a	n/a	n/a	7.4	18
National Institutes of Health					Assay Description [3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.				J Biol Chem 283: 10543-9 (2008) Article DOI: 10.1074/jbc.M707463200 BindingDB Entry DOI: 10.7270/Q2CF9NQ6
					More data for this Ligand-Target Pair