BDBM50189823 (2S,3S)-3-methyl-2-(((phenylamino)thioxomethyl)amino)-N-((3S)-tetrahydro-2-hydroxy-3-furanyl)pentanamide::CHEMBL208986

SMILES: CC[C@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O

InChI Key: InChIKey=GZIVCJGQZJKYPM-QXNCEATASA-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 = 50189823   

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
Calpain1 (Homo sapiens (Human))	BDBM50189823 ((2S,3S)-3-methyl-2-(((phenylamino)thioxomethyl)ami...) Show SMILES CC[C@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C17H25N3O3S/c1-3-11(2)14(15(21)19-13-9-10-23-16(13)22)20-17(24)18-12-7-5-4-6-8-12/h4-8,11,13-14,16,22H,3,9-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t11-,13-,14-,16?/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	600	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 2 (Sus scrofa)	BDBM50189823 ((2S,3S)-3-methyl-2-(((phenylamino)thioxomethyl)ami...) Show SMILES CC[C@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C17H25N3O3S/c1-3-11(2)14(15(21)19-13-9-10-23-16(13)22)20-17(24)18-12-7-5-4-6-8-12/h4-8,11,13-14,16,22H,3,9-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t11-,13-,14-,16?/m0/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	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