Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.3 BDBM50573009

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))	BDBM50573009 (CHEMBL4861249) Show SMILES FC(F)(F)c1ccncc1CNc1cc(NC2CCOCC2)c(cn1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50573009 (CHEMBL4861249) Show SMILES FC(F)(F)c1ccncc1CNc1cc(NC2CCOCC2)c(cn1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PKA-delta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00388 BindingDB Entry DOI: 10.7270/Q22J6GPS
					More data for this Ligand-Target Pair