Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.2 BDBM50025015

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

Found 9 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 (Rattus norvegicus (rat))	BDBM50025015 (CHEMBL3337846) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C16H11F2N3O4/c1-23-9-4-2-3-8(5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of rat CK1delta by radiometric protein kinase filter binding assay				J Med Chem 57: 7933-46 (2014) Article DOI: 10.1021/jm500600b BindingDB Entry DOI: 10.7270/Q2N0183J
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Rattus norvegicus (rat))	BDBM50025015 (CHEMBL3337846) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C16H11F2N3O4/c1-23-9-4-2-3-8(5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of rat CK1delta kinetic domain expressed in Escherichia coli using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography				J Med Chem 57: 7933-46 (2014) Article DOI: 10.1021/jm500600b BindingDB Entry DOI: 10.7270/Q2N0183J
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Rattus norvegicus (rat))	BDBM50025015 (CHEMBL3337846) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C16H11F2N3O4/c1-23-9-4-2-3-8(5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged rat CK1delta expressed in Escherichia coli using alpha casein substrate by SDS-PAGE based autoradiography				J Med Chem 57: 7933-46 (2014) Article DOI: 10.1021/jm500600b BindingDB Entry DOI: 10.7270/Q2N0183J
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Rattus norvegicus (rat))	BDBM50025015 (CHEMBL3337846) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C16H11F2N3O4/c1-23-9-4-2-3-8(5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged rat CK1delta expressed in Escherichia coli using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography				J Med Chem 57: 7933-46 (2014) Article DOI: 10.1021/jm500600b BindingDB Entry DOI: 10.7270/Q2N0183J
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50025015 (CHEMBL3337846) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C16H11F2N3O4/c1-23-9-4-2-3-8(5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant CK1epsilon expressed in Escherichia coli using alpha casein substrate by SDS-PAGE based autoradiography				J Med Chem 57: 7933-46 (2014) Article DOI: 10.1021/jm500600b BindingDB Entry DOI: 10.7270/Q2N0183J
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Rattus norvegicus (rat))	BDBM50025015 (CHEMBL3337846) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C16H11F2N3O4/c1-23-9-4-2-3-8(5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of rat CK1delta kinetic domain expressed in Escherichia coli using alpha casein substrate by SDS-PAGE based autoradiography				J Med Chem 57: 7933-46 (2014) Article DOI: 10.1021/jm500600b BindingDB Entry DOI: 10.7270/Q2N0183J
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50025015 (CHEMBL3337846) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C16H11F2N3O4/c1-23-9-4-2-3-8(5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant CK1epsilon expressed in Escherichia coli using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography				J Med Chem 57: 7933-46 (2014) Article DOI: 10.1021/jm500600b BindingDB Entry DOI: 10.7270/Q2N0183J
					More data for this Ligand-Target Pair
Casein kinase I isoform gamma-3 (Homo sapiens (Human))	BDBM50025015 (CHEMBL3337846) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C16H11F2N3O4/c1-23-9-4-2-3-8(5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK1gamma3 expressed in Escherichia coli using using alpha casein substrate by SDS-PAGE based autoradiography				J Med Chem 57: 7933-46 (2014) Article DOI: 10.1021/jm500600b BindingDB Entry DOI: 10.7270/Q2N0183J
					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Bos taurus)	BDBM50025015 (CHEMBL3337846) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C16H11F2N3O4/c1-23-9-4-2-3-8(5-9)14(22)21-15-19-10-6-12-13(7-11(10)20-15)25-16(17,18)24-12/h2-7H,1H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged bovine CK1alpha expressed in Escherichia coli using alpha casein substrate by SDS-PAGE based autoradiography				J Med Chem 57: 7933-46 (2014) Article DOI: 10.1021/jm500600b BindingDB Entry DOI: 10.7270/Q2N0183J
					More data for this Ligand-Target Pair