Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.5 BDBM255170

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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))	BDBM255170 (US9475817, 129) Show SMILES Cn1nc(c(c1N1CCNCC1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24FN9O/c1-34-26(35-14-12-29-13-15-35)23(24(33-34)17-2-4-19(27)5-3-17)20-6-7-22-30-21(16-36(22)32-20)31-25(37)18-8-10-28-11-9-18/h2-11,16,29H,12-15H2,1H3,(H,31,37)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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 ul prepared from 15 ul additions of enzyme, substrates (flu...				US Patent US9475817 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM255170 (US9475817, 129) Show SMILES Cn1nc(c(c1N1CCNCC1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H24FN9O/c1-34-26(35-14-12-29-13-15-35)23(24(33-34)17-2-4-19(27)5-3-17)20-6-7-22-30-21(16-36(22)32-20)31-25(37)18-8-10-28-11-9-18/h2-11,16,29H,12-15H2,1H3,(H,31,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	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 ul prepared from 15 ul additions of enzyme, substrates (flu...				US Patent US9475817 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
					More data for this Ligand-Target Pair