Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.5 BDBM50255367

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

Found 11 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))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	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	16	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))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	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	130	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 HCK (Homo sapiens (Human))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Hck				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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Src				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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MK2				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 Fyn (Homo sapiens (Human))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Fyn				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))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	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	1.30E+4	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
Protein kinase C beta type (Homo sapiens (Human))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	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	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human full length PKCbeta				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 Lck (Homo sapiens (Human))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Lck				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 epsilon type (Homo sapiens (Human))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	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	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human full length PKCepsilon				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 eta type (Homo sapiens (Human))	BDBM50255367 (2-(2-((dimethylamino)methyl)-5-methoxyphenyl)-4-(4...) Show SMILES COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N Show InChI InChI=1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)	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	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human full length PKCeta				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