BDBM50072040 3-Acetylamino-N-{(S)-1-[(S)-1-((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethylcarbamoyl]-2-methyl-propyl}-succinamic acid::CHEMBL2370213

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

InChI Key: InChIKey=IUPVMZYOJHIIEX-OFRPTSHBSA-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 = 50072040   

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-1 (Mus musculus)	BDBM50072040 (3-Acetylamino-N-{(S)-1-[(S)-1-((S)-2-hydroxy-5-oxo...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H28N4O9/c1-7(2)14(22-16(28)10(5-12(24)25)20-9(4)23)17(29)19-8(3)15(27)21-11-6-13(26)31-18(11)30/h7-8,10-11,14,18,30H,5-6H2,1-4H3,(H,19,29)(H,20,23)(H,21,27)(H,22,28)(H,24,25)/t8-,10-,11-,14-,18?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	523	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
Caspase-3 (Homo sapiens (Human))	BDBM50072040 (3-Acetylamino-N-{(S)-1-[(S)-1-((S)-2-hydroxy-5-oxo...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C18H28N4O9/c1-7(2)14(22-16(28)10(5-12(24)25)20-9(4)23)17(29)19-8(3)15(27)21-11-6-13(26)31-18(11)30/h7-8,10-11,14,18,30H,5-6H2,1-4H3,(H,19,29)(H,20,23)(H,21,27)(H,22,28)(H,24,25)/t8-,10-,11-,14-,18?/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	74	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