Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50437949'   

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 (Sus scrofa (pig))	BDBM50437949 (CHEMBL2408918 | US9403843, 34) Show SMILES OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(cc1)C#C |r| Show InChI InChI=1S/C21H16N4O5S2/c1-2-11-3-5-12(6-4-11)15-9-32-21(24-15)25-18(26)14(7-13-8-31-10-22-13)23-19(27)16-17(30-16)20(28)29/h1,3-6,8-10,14,16-17H,7H2,(H,23,27)(H,28,29)(H,24,25,26)/t14-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	3.50E+3	-31.7	n/a	n/a	n/a	n/a	n/a	7.6	30
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent					Assay Description Full length porcine calpain (156 nM), or papain (236 pM) was added to a solution of 100 mM NaCl, 50 mM HEPES, pH 7.6, 1 mM TCEP, 30 μM Suc-LLVY-AM...				US Patent US9403843 (2016) BindingDB Entry DOI: 10.7270/Q2KP8124
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Sus scrofa (pig))	BDBM50437949 (CHEMBL2408918 | US9403843, 34) Show SMILES OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(cc1)C#C |r| Show InChI InChI=1S/C21H16N4O5S2/c1-2-11-3-5-12(6-4-11)15-9-32-21(24-15)25-18(26)14(7-13-8-31-10-22-13)23-19(27)16-17(30-16)20(28)29/h1,3-6,8-10,14,16-17H,7H2,(H,23,27)(H,28,29)(H,24,25,26)/t14-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of pig full length Cal1 after using SucLLVYAMC as substrate by FRET assay				J Med Chem 56: 6054-68 (2013) Article DOI: 10.1021/jm4006719 BindingDB Entry DOI: 10.7270/Q2VT1TG7
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50437949 (CHEMBL2408918 | US9403843, 34) Show SMILES OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(cc1)C#C |r| Show InChI InChI=1S/C21H16N4O5S2/c1-2-11-3-5-12(6-4-11)15-9-32-21(24-15)25-18(26)14(7-13-8-31-10-22-13)23-19(27)16-17(30-16)20(28)29/h1,3-6,8-10,14,16-17H,7H2,(H,23,27)(H,28,29)(H,24,25,26)/t14-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	n/a
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK; THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent					Assay Description The Calbiochem InnoZyme activity kit was used for measuring the inhibition effect inhibitors on human erythrocyte calpain 1 activity. A calpain FRET ...				US Patent US9403843 (2016) BindingDB Entry DOI: 10.7270/Q2KP8124
					More data for this Ligand-Target Pair