BDBM50176507 (S)-4-oxo-3-(2-((4-(quinoxalin-2-ylamino)benzamido)methyl)pyrazine-5-carboxamido)butanoic acid::CHEMBL202329

SMILES: OC(=O)C[C@H](NC(=O)c1cnc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn1)C=O

InChI Key: InChIKey=LDRRHFUVWGXXJG-KRWDZBQOSA-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 = 50176507   

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))	BDBM50176507 ((S)-4-oxo-3-(2-((4-(quinoxalin-2-ylamino)benzamido...) Show SMILES OC(=O)C[C@H](NC(=O)c1cnc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn1)C=O Show InChI InChI=1S/C25H21N7O5/c33-14-17(9-23(34)35)31-25(37)21-12-26-18(10-27-21)11-29-24(36)15-5-7-16(8-6-15)30-22-13-28-19-3-1-2-4-20(19)32-22/h1-8,10,12-14,17H,9,11H2,(H,29,36)(H,30,32)(H,31,37)(H,34,35)/t17-/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	1.00E+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