BDBM50176520 (S)-4-oxo-3-(7-(4-(quinoxalin-2-ylamino)benzamido)heptanamido)butanoic acid::CHEMBL202577

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

InChI Key: InChIKey=NXMGXYQUQCIYRY-FQEVSTJZSA-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 = 50176520   

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))	BDBM50176520 ((S)-4-oxo-3-(7-(4-(quinoxalin-2-ylamino)benzamido)...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C=O Show InChI InChI=1S/C26H29N5O5/c32-17-20(15-25(34)35)30-24(33)9-3-1-2-6-14-27-26(36)18-10-12-19(13-11-18)29-23-16-28-21-7-4-5-8-22(21)31-23/h4-5,7-8,10-13,16-17,20H,1-3,6,9,14-15H2,(H,27,36)(H,29,31)(H,30,33)(H,34,35)/t20-/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	2.60E+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