Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Casein kinase I isoform delta' and Ligand = 'BDBM274854'   

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))	BDBM274854 (2-Fluoro-N-(6-(4-(4-fluorophenyl)-1-(tetrahydro-2H...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCOCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C26H21F2N7O2/c27-18-3-1-16(2-4-18)24-25(34(15-30-24)19-8-11-37-12-9-19)20-5-6-23-31-22(14-35(23)33-20)32-26(36)17-7-10-29-21(28)13-17/h1-7,10,13-15,19H,8-9,11-12H2,(H,32,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM274854 (2-Fluoro-N-(6-(4-(4-fluorophenyl)-1-(tetrahydro-2H...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCOCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C26H21F2N7O2/c27-18-3-1-16(2-4-18)24-25(34(15-30-24)19-8-11-37-12-9-19)20-5-6-23-31-22(14-35(23)33-20)32-26(36)17-7-10-29-21(28)13-17/h1-7,10,13-15,19H,8-9,11-12H2,(H,32,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair