Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.5 BDBM50393216

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

Found 6 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 delta type (Homo sapiens (Human))	BDBM50393216 (CHEMBL2151413) Show SMILES CC(C)n1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCN(C)CC2)c2ccccc12 |t:6| Show InChI InChI=1S/C28H28N6O2/c1-17(2)34-16-20(18-8-5-7-11-22(18)34)23-24(27(36)31-26(23)35)25-19-9-4-6-10-21(19)29-28(30-25)33-14-12-32(3)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,31,35,36)	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCdelta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50393216 (CHEMBL2151413) Show SMILES CC(C)n1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCN(C)CC2)c2ccccc12 |t:6| Show InChI InChI=1S/C28H28N6O2/c1-17(2)34-16-20(18-8-5-7-11-22(18)34)23-24(27(36)31-26(23)35)25-19-9-4-6-10-21(19)29-28(30-25)33-14-12-32(3)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,31,35,36)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCtheta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50393216 (CHEMBL2151413) Show SMILES CC(C)n1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCN(C)CC2)c2ccccc12 |t:6| Show InChI InChI=1S/C28H28N6O2/c1-17(2)34-16-20(18-8-5-7-11-22(18)34)23-24(27(36)31-26(23)35)25-19-9-4-6-10-21(19)29-28(30-25)33-14-12-32(3)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,31,35,36)	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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCbeta-1 by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C eta type (Homo sapiens (Human))	BDBM50393216 (CHEMBL2151413) Show SMILES CC(C)n1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCN(C)CC2)c2ccccc12 |t:6| Show InChI InChI=1S/C28H28N6O2/c1-17(2)34-16-20(18-8-5-7-11-22(18)34)23-24(27(36)31-26(23)35)25-19-9-4-6-10-21(19)29-28(30-25)33-14-12-32(3)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,31,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCeta by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50393216 (CHEMBL2151413) Show SMILES CC(C)n1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCN(C)CC2)c2ccccc12 |t:6| Show InChI InChI=1S/C28H28N6O2/c1-17(2)34-16-20(18-8-5-7-11-22(18)34)23-24(27(36)31-26(23)35)25-19-9-4-6-10-21(19)29-28(30-25)33-14-12-32(3)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,31,35,36)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCalpha by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50393216 (CHEMBL2151413) Show SMILES CC(C)n1cc(C2=C(C(=O)NC2=O)c2nc(nc3ccccc23)N2CCN(C)CC2)c2ccccc12 |t:6| Show InChI InChI=1S/C28H28N6O2/c1-17(2)34-16-20(18-8-5-7-11-22(18)34)23-24(27(36)31-26(23)35)25-19-9-4-6-10-21(19)29-28(30-25)33-14-12-32(3)13-15-33/h4-11,16-17H,12-15H2,1-3H3,(H,31,35,36)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKCepsilon by scintillation proximity assay				J Med Chem 54: 6028-39 (2011) Article DOI: 10.1021/jm200469u BindingDB Entry DOI: 10.7270/Q2K35VR1
					More data for this Ligand-Target Pair