Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 375.8 BDBM302538

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))	BDBM302538 (US9598423, Example 104) Show SMILES CC(C)(C)NC(=O)N1CCn2nc(c(C(N)=O)c2C1)-c1cccc(Cl)c1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C18H22ClN5O2/c1-18(2,3)21-17(26)23-7-8-24-13(10-23)14(16(20)25)15(22-24)11-5-4-6-12(19)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,20,25)(H,21,26)	PDB UniProtKB/SwissProt B.MOAD 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
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302538 (US9598423, Example 104) Show SMILES CC(C)(C)NC(=O)N1CCn2nc(c(C(N)=O)c2C1)-c1cccc(Cl)c1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C18H22ClN5O2/c1-18(2,3)21-17(26)23-7-8-24-13(10-23)14(16(20)25)15(22-24)11-5-4-6-12(19)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,20,25)(H,21,26)	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
					More data for this Ligand-Target Pair