BDBM50176506 (S)-3-(6-(3-methyl-4-(quinoxalin-2-ylamino)benzamido)hexanamido)-4-oxobutanoic acid::CHEMBL202569

SMILES: Cc1cc(ccc1Nc1cnc2ccccc2n1)C(=O)NCCCCCC(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=CBFYXUHDIMUKQI-IBGZPJMESA-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 = 50176506   

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))	BDBM50176506 ((S)-3-(6-(3-methyl-4-(quinoxalin-2-ylamino)benzami...) Show SMILES Cc1cc(ccc1Nc1cnc2ccccc2n1)C(=O)NCCCCCC(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C26H29N5O5/c1-17-13-18(10-11-20(17)30-23-15-28-21-7-4-5-8-22(21)31-23)26(36)27-12-6-2-3-9-24(33)29-19(16-32)14-25(34)35/h4-5,7-8,10-11,13,15-16,19H,2-3,6,9,12,14H2,1H3,(H,27,36)(H,29,33)(H,30,31)(H,34,35)/t19-/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	320	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