Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.2 BDBM302691

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))	BDBM302691 (US9598423, Example 259) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)c(F)c(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-] |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C21H15Cl2FN6O2/c1-26-12-2-4-13(5-3-12)27-21(32)29-6-7-30-16(10-29)17(20(25)31)19(28-30)11-8-14(22)18(24)15(23)9-11/h2-5,8-9H,6-7,10H2,(H2,25,31)(H,27,32)	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))	BDBM302691 (US9598423, Example 259) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cc(Cl)c(F)c(Cl)c1)C(=O)Nc1ccc(cc1)[N+]#[C-] |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C21H15Cl2FN6O2/c1-26-12-2-4-13(5-3-12)27-21(32)29-6-7-30-16(10-29)17(20(25)31)19(28-30)11-8-14(22)18(24)15(23)9-11/h2-5,8-9H,6-7,10H2,(H2,25,31)(H,27,32)	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