Identical Ligands in BindingDB

Found 8 hits Enzyme Inhibition Constant Data   

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   (294/295 > 99%)† (Homo sapiens (Human))	BDBM50025020 (CHEMBL3337854) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of human CK1delta transcription variant 1 using GST-tagged mouse p53 (1 to 64 residues) as substrate in presence of radiolabelled-ATP by C...				J Med Chem 61: 4087-4102 (2018) Article DOI: 10.1021/acs.jmedchem.8b00095 BindingDB Entry DOI: 10.7270/Q2GX4F5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform delta   (294/295 > 99%)† (Rattus norvegicus (rat))	BDBM50025020 (CHEMBL3337854) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	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				3D Structure (crystal)
Casein kinase I isoform delta   (294/295 > 99%)† (Rattus norvegicus (rat))	BDBM50025020 (CHEMBL3337854) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged CK1delta using GST-tagged mouse p53 (1 to 64 residues) as substrate in presence of radiolabelled-ATP by Cher...				J Med Chem 61: 4087-4102 (2018) Article DOI: 10.1021/acs.jmedchem.8b00095 BindingDB Entry DOI: 10.7270/Q2GX4F5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform delta   (294/295 > 99%)† (Rattus norvegicus (rat))	BDBM50025020 (CHEMBL3337854) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	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				3D Structure (crystal)
Casein kinase I isoform delta   (294/295 > 99%)† (Rattus norvegicus (rat))	BDBM50025020 (CHEMBL3337854) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com. Curated by ChEMBL					Assay Description Inhibition of recombinant rat GST-tagged CK1delta expressed in Escherichia coli using GST-p53 (1 to 64 residues) as substrate by SDS-PAGE based autor...				Eur J Med Chem 109: 89-98 (2016) Article DOI: 10.1016/j.ejmech.2015.12.022 BindingDB Entry DOI: 10.7270/Q2PC347J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform delta   (294/295 > 99%)† (Homo sapiens (Human))	BDBM50025020 (CHEMBL3337854) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of human CK1delta transcription variant 2 using GST-tagged mouse p53 (1 to 64 residues) as substrate in presence of radiolabelled-ATP by C...				J Med Chem 61: 4087-4102 (2018) Article DOI: 10.1021/acs.jmedchem.8b00095 BindingDB Entry DOI: 10.7270/Q2GX4F5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform epsilon   (286/295 = 97%)† (Homo sapiens (Human))	BDBM50025020 (CHEMBL3337854) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	199	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				3D Structure (crystal)
Casein kinase I isoform epsilon   (286/295 = 97%)† (Homo sapiens (Human))	BDBM50025020 (CHEMBL3337854) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human CK1epsilon using GST-p53 (1 to 64 residues) as substrate by SDS-PAGE based autoradiography				Eur J Med Chem 109: 89-98 (2016) Article DOI: 10.1016/j.ejmech.2015.12.022 BindingDB Entry DOI: 10.7270/Q2PC347J
					More data for this Ligand-Target Pair				3D Structure (crystal)

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