BDBM50284744 3-Allyloxycarbonylamino-5-[3-(1H-imidazol-2-yl)-naphthalen-2-yloxy]-4-oxo-pentanoic acid::CHEMBL31094

SMILES: OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1-c1ncc[nH]1

InChI Key: InChIKey=RYAFHDHSVVCELZ-KRWDZBQOSA-N

Data: 1 KI  1 K_on

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 = 50284744   

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 (Homo sapiens (Human))	BDBM50284744 (3-Allyloxycarbonylamino-5-[3-(1H-imidazol-2-yl)-na...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1-c1ncc[nH]1 Show InChI InChI=1S/C22H21N3O6/c1-2-9-30-22(29)25-17(12-20(27)28)18(26)13-31-19-11-15-6-4-3-5-14(15)10-16(19)21-23-7-8-24-21/h2-8,10-11,17H,1,9,12-13H2,(H,23,24)(H,25,29)(H,27,28)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284744 (3-Allyloxycarbonylamino-5-[3-(1H-imidazol-2-yl)-na...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1-c1ncc[nH]1 Show InChI InChI=1S/C22H21N3O6/c1-2-9-30-22(29)25-17(12-20(27)28)18(26)13-31-19-11-15-6-4-3-5-14(15)10-16(19)21-23-7-8-24-21/h2-8,10-11,17H,1,9,12-13H2,(H,23,24)(H,25,29)(H,27,28)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair