BDBM50324942 (R)-2-((S)-2-isopropyl-4-oxo-4-(2-phenoxyethylamino)butanamido)-3-oxopropanoic acid::CHEMBL1221547

SMILES: CC(C)[C@H](CC(=O)NCCOc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=BWUXHOPSZABXNY-HOCLYGCPSA-N

Data: 1 KI  1 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 = 50324942   

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))	BDBM50324942 ((R)-2-((S)-2-isopropyl-4-oxo-4-(2-phenoxyethylamin...) Show SMILES CC(C)[C@H](CC(=O)NCCOc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C19H26N2O6/c1-13(2)16(19(26)21-14(12-22)10-18(24)25)11-17(23)20-8-9-27-15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,20,23)(H,21,26)(H,24,25)/t14-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ICE				Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50324942 ((R)-2-((S)-2-isopropyl-4-oxo-4-(2-phenoxyethylamin...) Show SMILES CC(C)[C@H](CC(=O)NCCOc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C19H26N2O6/c1-13(2)16(19(26)21-14(12-22)10-18(24)25)11-17(23)20-8-9-27-15-6-4-3-5-7-15/h3-7,12-14,16H,8-11H2,1-2H3,(H,20,23)(H,21,26)(H,24,25)/t14-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ICE				Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X
					More data for this Ligand-Target Pair