BDBM50072042 CHEMBL328015::{(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O

InChI Key: InChIKey=FUNMHZMHJQCKGK-KGIQCEPESA-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 = 50072042   

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
Caspase-3 (Homo sapiens (Human))	BDBM50072042 (CHEMBL328015 | {(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H27N3O7/c1-11(2)16(23-20(28)29-10-13-7-5-4-6-8-13)18(26)21-12(3)17(25)22-14-9-15(24)30-19(14)27/h4-8,11-12,14,16,19,27H,9-10H2,1-3H3,(H,21,26)(H,22,25)(H,23,28)/t12-,14-,16-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrate				Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198
					More data for this Ligand-Target Pair
Caspase-1 (Mus musculus)	BDBM50072042 (CHEMBL328015 | {(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H27N3O7/c1-11(2)16(23-20(28)29-10-13-7-5-4-6-8-13)18(26)21-12(3)17(25)22-14-9-15(24)30-19(14)27/h4-8,11-12,14,16,19,27H,9-10H2,1-3H3,(H,21,26)(H,22,25)(H,23,28)/t12-,14-,16-,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrate				Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198
					More data for this Ligand-Target Pair