Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 481.9 BDBM302701

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

Found 1 hit 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 epsilon (Homo sapiens (Human))	BDBM302701 (2-(3-Chloro-5- (dimethylamino)phenyl)- N5-(4-cyano...) Show SMILES CN(C)c1cc(Cl)cc(c1)-c1nn2CCN(Cc2c1C(N)=O)C(=O)Nc1ccc([N+]#[C-])c(F)c1 |$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C23H21ClFN7O2/c1-27-18-5-4-15(11-17(18)25)28-23(34)31-6-7-32-19(12-31)20(22(26)33)21(29-32)13-8-14(24)10-16(9-13)30(2)3/h4-5,8-11H,6-7,12H2,2-3H3,(H2,26,33)(H,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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
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