Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform alpha' and Ligand = 'BDBM50244787'   

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 alpha (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter				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
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM50244787 ((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...) Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Curated by ChEMBL					Assay Description Inhibition of CK1				J Med Chem 53: 1413-37 (2010) Article DOI: 10.1021/jm901132v BindingDB Entry DOI: 10.7270/Q2VD6ZK0
					More data for this Ligand-Target Pair