Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50114340'   

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 (Rattus norvegicus)	BDBM50114340 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r| Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Canterbury Curated by ChEMBL					Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis				J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50114340 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r| Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Calpain-1 incubated for 60 mins by Bio-Rad protein assay dye reagent based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00628 BindingDB Entry DOI: 10.7270/Q2445RC5
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50114340 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r| Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte mu calpain				J Med Chem 49: 3926-32 (2006) Article DOI: 10.1021/jm060157n BindingDB Entry DOI: 10.7270/Q21R6Q48
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50114340 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r| Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain				Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS
					More data for this Ligand-Target Pair