Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.4 BDBM302555

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))	BDBM302555 (N5-(tert-Butyl)-2-(thiophen-3- yl)-6,7-dihydropyra...) Show SMILES CC(C)(C)NC(=O)N1CCn2nc(-c3ccsc3)c(C(N)=O)c2C1 Show InChI InChI=1S/C16H21N5O2S/c1-16(2,3)18-15(23)20-5-6-21-11(8-20)12(14(17)22)13(19-21)10-4-7-24-9-10/h4,7,9H,5-6,8H2,1-3H3,(H2,17,22)(H,18,23)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302555 (N5-(tert-Butyl)-2-(thiophen-3- yl)-6,7-dihydropyra...) Show SMILES CC(C)(C)NC(=O)N1CCn2nc(-c3ccsc3)c(C(N)=O)c2C1 Show InChI InChI=1S/C16H21N5O2S/c1-16(2,3)18-15(23)20-5-6-21-11(8-20)12(14(17)22)13(19-21)10-4-7-24-9-10/h4,7,9H,5-6,8H2,1-3H3,(H2,17,22)(H,18,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair