Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.5 BDBM50300893

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

Found 4 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
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50300893 ((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...) Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc([nH]c2-c2ccc(F)cc2)S(C)=O)c(OC)c1 |w:6.5| Show InChI InChI=1S/C26H23FN4O4S/c1-34-20-10-6-16(21(15-20)35-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)36(3)33)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Curated by ChEMBL					Assay Description Inhibition of recombinant CK1delta kinase domain by Cherenkov counting				J Med Chem 52: 7618-30 (2009) Article DOI: 10.1021/jm9005127 BindingDB Entry DOI: 10.7270/Q28K7961
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Rattus norvegicus (rat))	BDBM50300893 ((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...) Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc([nH]c2-c2ccc(F)cc2)S(C)=O)c(OC)c1 |w:6.5| Show InChI InChI=1S/C26H23FN4O4S/c1-34-20-10-6-16(21(15-20)35-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)36(3)33)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Eberhard-Karls-University Curated by ChEMBL					Assay Description Inhibition of GST-fused rat CK1delta by Cherenkov counting in presence of 20 uM ATP				J Med Chem 52: 7618-30 (2009) Article DOI: 10.1021/jm9005127 BindingDB Entry DOI: 10.7270/Q28K7961
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50300893 ((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...) Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc([nH]c2-c2ccc(F)cc2)S(C)=O)c(OC)c1 |w:6.5| Show InChI InChI=1S/C26H23FN4O4S/c1-34-20-10-6-16(21(15-20)35-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)36(3)33)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Curated by ChEMBL					Assay Description Inhibition of p38alpha by Cherenkov counting				J Med Chem 52: 7618-30 (2009) Article DOI: 10.1021/jm9005127 BindingDB Entry DOI: 10.7270/Q28K7961
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50300893 ((E)-3-(2,4-Dimethoxy-phenyl)-N-(4-[5-(4-fluoro-phe...) Show SMILES COc1ccc(C=CC(=O)Nc2cc(ccn2)-c2nc([nH]c2-c2ccc(F)cc2)S(C)=O)c(OC)c1 |w:6.5| Show InChI InChI=1S/C26H23FN4O4S/c1-34-20-10-6-16(21(15-20)35-2)7-11-23(32)29-22-14-18(12-13-28-22)25-24(30-26(31-25)36(3)33)17-4-8-19(27)9-5-17/h4-15H,1-3H3,(H,30,31)(H,28,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University Curated by ChEMBL					Assay Description Inhibition of recombinant CK1epsilon by Cherenkov counting in presence of 20 uM ATP				J Med Chem 52: 7618-30 (2009) Article DOI: 10.1021/jm9005127 BindingDB Entry DOI: 10.7270/Q28K7961
					More data for this Ligand-Target Pair