BDBM50176499 (S)-4-oxo-3-(5-(4-(quinoxalin-2-ylamino)benzamido)pentanamido)butanoic acid::CHEMBL201973

SMILES: OC(=O)C[C@H](NC(=O)CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C=O

InChI Key: InChIKey=LEUCGPWGATUTBS-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 = 50176499   

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))	BDBM50176499 ((S)-4-oxo-3-(5-(4-(quinoxalin-2-ylamino)benzamido)...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C=O Show InChI InChI=1S/C24H25N5O5/c30-15-18(13-23(32)33)28-22(31)7-3-4-12-25-24(34)16-8-10-17(11-9-16)27-21-14-26-19-5-1-2-6-20(19)29-21/h1-2,5-6,8-11,14-15,18H,3-4,7,12-13H2,(H,25,34)(H,27,29)(H,28,31)(H,32,33)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+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