Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 283.3 BDBM50387333

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

Found 4 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))	BDBM50387333 (CHEMBL2046626) Show SMILES Nc1ncccc1C(=O)c1cccc(n1)N1CCNCC1 Show InChI InChI=1S/C15H17N5O/c16-15-11(3-2-6-18-15)14(21)12-4-1-5-13(19-12)20-9-7-17-8-10-20/h1-6,17H,7-10H2,(H2,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...				J Med Chem 56: 1799-810 (2013) Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50387333 (CHEMBL2046626) Show SMILES Nc1ncccc1C(=O)c1cccc(n1)N1CCNCC1 Show InChI InChI=1S/C15H17N5O/c16-15-11(3-2-6-18-15)14(21)12-4-1-5-13(19-12)20-9-7-17-8-10-20/h1-6,17H,7-10H2,(H2,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of PKCtheta				Bioorg Med Chem Lett 22: 4645-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.114 BindingDB Entry DOI: 10.7270/Q2TM7C65
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50387333 (CHEMBL2046626) Show SMILES Nc1ncccc1C(=O)c1cccc(n1)N1CCNCC1 Show InChI InChI=1S/C15H17N5O/c16-15-11(3-2-6-18-15)14(21)12-4-1-5-13(19-12)20-9-7-17-8-10-20/h1-6,17H,7-10H2,(H2,16,18)	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
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 15 mins by spectrophotometry in presence of ATP				J Med Chem 56: 1799-810 (2013) Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50387333 (CHEMBL2046626) Show SMILES Nc1ncccc1C(=O)c1cccc(n1)N1CCNCC1 Show InChI InChI=1S/C15H17N5O/c16-15-11(3-2-6-18-15)14(21)12-4-1-5-13(19-12)20-9-7-17-8-10-20/h1-6,17H,7-10H2,(H2,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	418	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of PKC alpha (unknown origin) using RRRRRKGSFKRKA as substrate after 15 mins by spectrophotometry in presence of ATP				J Med Chem 56: 1799-810 (2013) Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2
					More data for this Ligand-Target Pair