Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM50399656'   

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))	BDBM50399656 (CHEMBL2069623 | US11633415, Compound PF4800567) Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human full length CK1delta1 (2 to 415 residues) using PLSRTLpSVASLPGL as substrate after 2 hrs by kinase-glo assay				Nat Rev Drug Discov 16: 424-440 (2017) Article DOI: 10.1038/nrd.2016.266 BindingDB Entry DOI: 10.7270/Q2125VNC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50399656 (CHEMBL2069623 | US11633415, Compound PF4800567) Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	711	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CK1delta in presence of [gamma33P]-ATP				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111581 BindingDB Entry DOI: 10.7270/Q29K4FJB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50399656 (CHEMBL2069623 | US11633415, Compound PF4800567) Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	711	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CK1delta				Eur J Med Chem 56: 30-38 (2012) Article DOI: 10.1016/j.ejmech.2012.08.007 BindingDB Entry DOI: 10.7270/Q2FJ2J2F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50399656 (CHEMBL2069623 | US11633415, Compound PF4800567) Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	711	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Casein kinase 1 delta				J Med Chem 55: 10307-11 (2012) Article DOI: 10.1021/jm301336n BindingDB Entry DOI: 10.7270/Q2FF3TGG
					More data for this Ligand-Target Pair				3D Structure (crystal)