Identical Ligands in BindingDB

Found 10 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%)† (Rattus norvegicus (rat))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	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))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	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				3D Structure (crystal)
Casein kinase I isoform delta   (294/295 > 99%)† (Rattus norvegicus (rat))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	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))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB 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 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				3D Structure (crystal)
Casein kinase I isoform epsilon   (286/295 = 97%)† (Homo sapiens (Human))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	190	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				3D Structure (crystal)
Casein kinase I isoform epsilon   (286/295 = 97%)† (Homo sapiens (Human))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	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 delta   (294/295 > 99%)† (Rattus norvegicus (rat))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged mouse CK1delta transcription variant 1 mutant expressed in Escherichia coli at 15 degC for 14 hrs using GST-p53 (1 to 64 res...				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))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged mouse CK1delta transcription variant 2 mutant expressed in Escherichia coli at 15 degC for 14 hrs using GST-p53 (1 to 64 res...				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))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged mouse CK1delta transcription variant 2 mutant expressed in Escherichia coli at 37 degC for 2 hrs using GST-p53 (1 to 64 resi...				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))	BDBM50025019 (CHEMBL3337845) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2cc3OC(F)(F)Oc3cc2[nH]1 Show InChI InChI=1S/C20H10F5N5O5S/c21-19(22,23)33-12-4-2-1-3-8(12)15(31)30-18-28-11(7-36-18)16(32)29-17-26-9-5-13-14(6-10(9)27-17)35-20(24,25)34-13/h1-7H,(H,28,30,31)(H2,26,27,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of GST-tagged mouse CK1delta transcription variant 1 mutant expressed in Escherichia coli at 37 degC for 2 hrs using GST-p53 (1 to 64 resi...				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)

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