BDBM50070496 (R)-3-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-butyrylamino}-propionylamino)-5-oxo-pentanoic acid::CHEMBL34031

SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H](CC=O)CC(O)=O

InChI Key: InChIKey=LHMYUEZQAHSYBE-TVLKCDEOSA-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 = 50070496   

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 (Homo sapiens (Human))	BDBM50070496 ((R)-3-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydrox...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H](CC=O)CC(O)=O Show InChI InChI=1S/C24H34N4O8/c1-13(2)21(24(36)25-14(3)22(34)27-17(9-10-29)12-20(32)33)28-23(35)19(26-15(4)30)11-16-5-7-18(31)8-6-16/h5-8,10,13-14,17,19,21,31H,9,11-12H2,1-4H3,(H,25,36)(H,26,30)(H,27,34)(H,28,35)(H,32,33)/t14-,17+,19-,21-/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	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Drug Research Curated by ChEMBL					Assay Description Amidolytic activity of THP.1 cell lysate against IL-1 beta converting enzyme using C1-Asp-AMC as a substrate				Bioorg Med Chem Lett 8: 1477-82 (1999) Checked by Author BindingDB Entry DOI: 10.7270/Q2GB24KF
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50070496 ((R)-3-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydrox...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H](CC=O)CC(O)=O Show InChI InChI=1S/C24H34N4O8/c1-13(2)21(24(36)25-14(3)22(34)27-17(9-10-29)12-20(32)33)28-23(35)19(26-15(4)30)11-16-5-7-18(31)8-6-16/h5-8,10,13-14,17,19,21,31H,9,11-12H2,1-4H3,(H,25,36)(H,26,30)(H,27,34)(H,28,35)(H,32,33)/t14-,17+,19-,21-/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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Drug Research Curated by ChEMBL					Assay Description Ability to inhibit IL-1 beta converting enzyme was evaluated in LPS-stimulated human whole blood				Bioorg Med Chem Lett 8: 1477-82 (1999) Checked by Author BindingDB Entry DOI: 10.7270/Q2GB24KF
					More data for this Ligand-Target Pair