Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50522668'   

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
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50522668 (CHEMBL4454219) Show SMILES Fc1ccc(CNC(=O)C(=O)C(Cc2ccccc2)NC(=O)[C@H]2CCC(=O)N2Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H28FN3O4/c30-23-13-11-21(12-14-23)18-31-29(37)27(35)24(17-20-7-3-1-4-8-20)32-28(36)25-15-16-26(34)33(25)19-22-9-5-2-6-10-22/h1-14,24-25H,15-19H2,(H,31,37)(H,32,36)/t24?,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of Cal1 (unknown origin)				Bioorg Med Chem Lett 29: 1968-1973 (2019) Article DOI: 10.1016/j.bmcl.2019.05.034 BindingDB Entry DOI: 10.7270/Q2ZP49H5
					More data for this Ligand-Target Pair