Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.3 BDBM50573013

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))	BDBM50573013 (CHEMBL4857437) Show SMILES NC(=O)[C@H]1C[C@@H](C1)Nc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N |r,wU:5.7,wD:3.2,(41.92,-6.07,;40.6,-5.28,;40.63,-3.74,;39.26,-6.02,;37.78,-5.6,;37.35,-7.07,;38.83,-7.5,;36,-7.82,;35.97,-9.36,;34.62,-10.1,;34.59,-11.64,;33.24,-12.39,;33.22,-13.93,;31.87,-14.67,;31.84,-16.21,;30.49,-16.96,;29.18,-16.17,;29.2,-14.63,;30.55,-13.88,;30.58,-12.34,;29.04,-12.34,;29.81,-11,;31.93,-11.59,;35.91,-12.44,;37.26,-11.69,;37.28,-10.15,;38.63,-9.41,;39.98,-8.66,)| 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	5.00E+3	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))	BDBM50573013 (CHEMBL4857437) Show SMILES NC(=O)[C@H]1C[C@@H](C1)Nc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N |r,wU:5.7,wD:3.2,(41.92,-6.07,;40.6,-5.28,;40.63,-3.74,;39.26,-6.02,;37.78,-5.6,;37.35,-7.07,;38.83,-7.5,;36,-7.82,;35.97,-9.36,;34.62,-10.1,;34.59,-11.64,;33.24,-12.39,;33.22,-13.93,;31.87,-14.67,;31.84,-16.21,;30.49,-16.96,;29.18,-16.17,;29.2,-14.63,;30.55,-13.88,;30.58,-12.34,;29.04,-12.34,;29.81,-11,;31.93,-11.59,;35.91,-12.44,;37.26,-11.69,;37.28,-10.15,;38.63,-9.41,;39.98,-8.66,)| 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	>1.00E+4	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