BDBM50189825 (2S)-2-((((4-cyanophenyl)amino)thioxomethyl)amino)-4-methyl-N-((3S)-tetrahydro-2-hydroxy-3-furanyl)pentanamide::CHEMBL210347

SMILES: CC(C)C[C@H](NC(=S)Nc1ccc(cc1)C#N)C(=O)N[C@H]1CCOC1O

InChI Key: InChIKey=NAUQJDTWGGSDSW-GIIGEWEBSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50189825   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain 2 (Sus scrofa)	BDBM50189825 ((2S)-2-((((4-cyanophenyl)amino)thioxomethyl)amino)...) Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(cc1)C#N)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H24N4O3S/c1-11(2)9-15(16(23)21-14-7-8-25-17(14)24)22-18(26)20-13-5-3-12(10-19)4-6-13/h3-6,11,14-15,17,24H,7-9H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of porcein kidney m 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
Calpain1 (Homo sapiens (Human))	BDBM50189825 ((2S)-2-((((4-cyanophenyl)amino)thioxomethyl)amino)...) Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(cc1)C#N)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H24N4O3S/c1-11(2)9-15(16(23)21-14-7-8-25-17(14)24)22-18(26)20-13-5-3-12(10-19)4-6-13/h3-6,11,14-15,17,24H,7-9H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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