Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 448.5 BDBM50313595

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50313595 ((E)-4-(4-methyl-1H-indol-5-ylamino)-5-(2-(6-(piper...) Show SMILES Cc1c(Nc2c(\C=C\c3cccc(CN4CCCCC4)n3)cncc2C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H28N6/c1-20-25-12-13-31-27(25)11-10-26(20)33-28-21(17-30-18-22(28)16-29)8-9-23-6-5-7-24(32-23)19-34-14-3-2-4-15-34/h5-13,17-18,31H,2-4,14-15,19H2,1H3,(H,30,33)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PKCtheta				Bioorg Med Chem Lett 20: 1965-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.119 BindingDB Entry DOI: 10.7270/Q2H70FX5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50313595 ((E)-4-(4-methyl-1H-indol-5-ylamino)-5-(2-(6-(piper...) Show SMILES Cc1c(Nc2c(\C=C\c3cccc(CN4CCCCC4)n3)cncc2C#N)ccc2[nH]ccc12 Show InChI InChI=1S/C28H28N6/c1-20-25-12-13-31-27(25)11-10-26(20)33-28-21(17-30-18-22(28)16-29)8-9-23-6-5-7-24(32-23)19-34-14-3-2-4-15-34/h5-13,17-18,31H,2-4,14-15,19H2,1H3,(H,30,33)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta				Bioorg Med Chem Lett 20: 1965-8 (2010) Article DOI: 10.1016/j.bmcl.2010.01.119 BindingDB Entry DOI: 10.7270/Q2H70FX5
					More data for this Ligand-Target Pair