Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 321.3 BDBM50265392Purchase

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

Found 3 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
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50265392 (CHEMBL4088576) Show SMILES OC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1 Show InChI InChI=1S/C19H15NO4/c21-18(20-15-8-3-7-14(11-15)19(22)23)12-24-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Inhibition of human PIM3 using RSRHSSYPAGT as substrate in presence of [gamma-33P]-ATP				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50265392 (CHEMBL4088576) Show SMILES OC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1 Show InChI InChI=1S/C19H15NO4/c21-18(20-15-8-3-7-14(11-15)19(22)23)12-24-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Binding affinity to bovine serum albumin by tryptophan quenching based HTS assay				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50265392 (CHEMBL4088576) Show SMILES OC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1 Show InChI InChI=1S/C19H15NO4/c21-18(20-15-8-3-7-14(11-15)19(22)23)12-24-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.95E+4	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Activation of human DAPK1 using KKLNRTLSFAEPG as substrate in presence of [gamma-33P]-ATP				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair