BDBM50160950 (S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL359598

SMILES: CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O

InChI Key: InChIKey=GQDJBEWJIKPEQS-LROBGIAVSA-N

Data: 4 IC50

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 4 hits for monomerid = 50160950   

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))	BDBM50160950 ((S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{...) Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C25H40N8O6/c1-5-7-8-9-11-32(4)16-26-15-21(34)18(13-22(35)36)29-24(37)20(6-2)33-12-10-27-23(25(33)38)28-14-19-17(3)30-39-31-19/h10,12,18,20,26H,5-9,11,13-16H2,1-4H3,(H,27,28)(H,29,37)(H,35,36)/t18-,20?/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	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50160950 ((S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{...) Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C25H40N8O6/c1-5-7-8-9-11-32(4)16-26-15-21(34)18(13-22(35)36)29-24(37)20(6-2)33-12-10-27-23(25(33)38)28-14-19-17(3)30-39-31-19/h10,12,18,20,26H,5-9,11,13-16H2,1-4H3,(H,27,28)(H,29,37)(H,35,36)/t18-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50160950 ((S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{...) Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C25H40N8O6/c1-5-7-8-9-11-32(4)16-26-15-21(34)18(13-22(35)36)29-24(37)20(6-2)33-12-10-27-23(25(33)38)28-14-19-17(3)30-39-31-19/h10,12,18,20,26H,5-9,11,13-16H2,1-4H3,(H,27,28)(H,29,37)(H,35,36)/t18-,20?/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	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50160950 ((S)-5-{[(Hexyl-methyl-amino)-methyl]-amino}-3-(2-{...) Show SMILES CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C25H40N8O6/c1-5-7-8-9-11-32(4)16-26-15-21(34)18(13-22(35)36)29-24(37)20(6-2)33-12-10-27-23(25(33)38)28-14-19-17(3)30-39-31-19/h10,12,18,20,26H,5-9,11,13-16H2,1-4H3,(H,27,28)(H,29,37)(H,35,36)/t18-,20?/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	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair