Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.4 BDBM50255254

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

Found 3 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))	BDBM50255254 (2-(2-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino...) Show SMILES COc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C24H18N4OS/c1-14-16-9-10-26-20(16)8-7-19(14)28-23-15(12-25)13-27-24-18(23)11-22(30-24)17-5-3-4-6-21(17)29-2/h3-11,13,26H,1-2H3,(H,27,28)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human full length PKCtheta				Bioorg Med Chem Lett 19: 766-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.021 BindingDB Entry DOI: 10.7270/Q2KW5FX7
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50255254 (2-(2-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino...) Show SMILES COc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C24H18N4OS/c1-14-16-9-10-26-20(16)8-7-19(14)28-23-15(12-25)13-27-24-18(23)11-22(30-24)17-5-3-4-6-21(17)29-2/h3-11,13,26H,1-2H3,(H,27,28)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human full length PKCdelta				Bioorg Med Chem Lett 19: 766-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.021 BindingDB Entry DOI: 10.7270/Q2KW5FX7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50255254 (2-(2-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino...) Show SMILES COc1ccccc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C24H18N4OS/c1-14-16-9-10-26-20(16)8-7-19(14)28-23-15(12-25)13-27-24-18(23)11-22(30-24)17-5-3-4-6-21(17)29-2/h3-11,13,26H,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Lyn				Bioorg Med Chem Lett 19: 766-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.021 BindingDB Entry DOI: 10.7270/Q2KW5FX7
					More data for this Ligand-Target Pair