BDBM50324951 (R)-2-((S)-2-isopropyl-4-oxo-4-(4-phenylpiperazin-1-yl)butanamido)-3-oxopropanoic acid::CHEMBL1221596

SMILES: CC(C)[C@H](CC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=RLTMXFUHUPRYDG-WMZOPIPTSA-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 = 50324951   

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))	BDBM50324951 ((R)-2-((S)-2-isopropyl-4-oxo-4-(4-phenylpiperazin-...) Show SMILES CC(C)[C@H](CC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H29N3O5/c1-15(2)18(21(29)22-16(14-25)12-20(27)28)13-19(26)24-10-8-23(9-11-24)17-6-4-3-5-7-17/h3-7,14-16,18H,8-13H2,1-2H3,(H,22,29)(H,27,28)/t16-,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	Article PubMed	1.02E+3	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))	BDBM50324951 ((R)-2-((S)-2-isopropyl-4-oxo-4-(4-phenylpiperazin-...) Show SMILES CC(C)[C@H](CC(=O)N1CCN(CC1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H29N3O5/c1-15(2)18(21(29)22-16(14-25)12-20(27)28)13-19(26)24-10-8-23(9-11-24)17-6-4-3-5-7-17/h3-7,14-16,18H,8-13H2,1-2H3,(H,22,29)(H,27,28)/t16-,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	Article PubMed	n/a	n/a	7.81E+3	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