Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.8 BDBM302762

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))	BDBM302762 (US9598423, Example 335) Show SMILES NC(=O)c1c2CN([C@@H](Cn2nc1-c1ccc(F)c(Cl)c1)C(F)(F)F)C(=O)Nc1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H15ClF4N6O2/c23-14-7-12(3-6-15(14)24)19-18(20(29)34)16-9-32(17(22(25,26)27)10-33(16)31-19)21(35)30-13-4-1-11(8-28)2-5-13/h1-7,17H,9-10H2,(H2,29,34)(H,30,35)/t17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD 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
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302762 (US9598423, Example 335) Show SMILES NC(=O)c1c2CN([C@@H](Cn2nc1-c1ccc(F)c(Cl)c1)C(F)(F)F)C(=O)Nc1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H15ClF4N6O2/c23-14-7-12(3-6-15(14)24)19-18(20(29)34)16-9-32(17(22(25,26)27)10-33(16)31-19)21(35)30-13-4-1-11(8-28)2-5-13/h1-7,17H,9-10H2,(H2,29,34)(H,30,35)/t17-/m0/s1	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