BDBM50160987 (S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(methyl-pentyl-amino)-methyl]-amino}-4-oxo-pentanoic acid::CHEMBL180669

SMILES: CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C

InChI Key: InChIKey=CKRCPAGGKUFVIT-ZQRQZVKFSA-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 = 50160987   

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-7 (Homo sapiens (Human))	BDBM50160987 ((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...) Show SMILES CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C28H46N8O6/c1-8-10-11-12-35(7)17-29-15-22(37)19(13-24(38)39)31-26(40)21(9-2)36-16-23(28(4,5)6)32-25(27(36)41)30-14-20-18(3)33-42-34-20/h16,19,21,29H,8-15,17H2,1-7H3,(H,30,32)(H,31,40)(H,38,39)/t19-,21?/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	0.0360	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
Caspase-3 (Homo sapiens (Human))	BDBM50160987 ((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...) Show SMILES CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C28H46N8O6/c1-8-10-11-12-35(7)17-29-15-22(37)19(13-24(38)39)31-26(40)21(9-2)36-16-23(28(4,5)6)32-25(27(36)41)30-14-20-18(3)33-42-34-20/h16,19,21,29H,8-15,17H2,1-7H3,(H,30,32)(H,31,40)(H,38,39)/t19-,21?/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	0.000100	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-8 (Homo sapiens (Human))	BDBM50160987 ((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...) Show SMILES CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C28H46N8O6/c1-8-10-11-12-35(7)17-29-15-22(37)19(13-24(38)39)31-26(40)21(9-2)36-16-23(28(4,5)6)32-25(27(36)41)30-14-20-18(3)33-42-34-20/h16,19,21,29H,8-15,17H2,1-7H3,(H,30,32)(H,31,40)(H,38,39)/t19-,21?/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	6	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-1 (Homo sapiens (Human))	BDBM50160987 ((S)-3-(2-{5-tert-Butyl-3-[(4-methyl-furazan-3-ylme...) Show SMILES CCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C28H46N8O6/c1-8-10-11-12-35(7)17-29-15-22(37)19(13-24(38)39)31-26(40)21(9-2)36-16-23(28(4,5)6)32-25(27(36)41)30-14-20-18(3)33-42-34-20/h16,19,21,29H,8-15,17H2,1-7H3,(H,30,32)(H,31,40)(H,38,39)/t19-,21?/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	0.110	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