BDBM50176501 (S)-4-oxo-3-(6-(4-(quinoxalin-2-yloxy)benzamido)hexanamido)butanoic acid::CHEMBL201867

SMILES: OC(=O)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(Oc2cnc3ccccc3n2)cc1)C=O

InChI Key: InChIKey=CIXOFJJFYICQAZ-SFHVURJKSA-N

Data: 1 KI

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 1 hit for monomerid = 50176501   

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))	BDBM50176501 ((S)-4-oxo-3-(6-(4-(quinoxalin-2-yloxy)benzamido)he...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCCNC(=O)c1ccc(Oc2cnc3ccccc3n2)cc1)C=O Show InChI InChI=1S/C25H26N4O6/c30-16-18(14-24(32)33)28-22(31)8-2-1-5-13-26-25(34)17-9-11-19(12-10-17)35-23-15-27-20-6-3-4-7-21(20)29-23/h3-4,6-7,9-12,15-16,18H,1-2,5,8,13-14H2,(H,26,34)(H,28,31)(H,32,33)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
					More data for this Ligand-Target Pair