null

SMILES: [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1

InChI Key: InChIKey=KQLWSSDYPGXCNL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50200555   

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-5 (Homo sapiens (Human))	BDBM50200555 (CHEMBL3984293) Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200555 (CHEMBL3984293) Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-4 (Homo sapiens (Human))	BDBM50200555 (CHEMBL3984293) Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-4 (Homo sapiens (Human))	BDBM50200555 (CHEMBL3984293) Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200555 (CHEMBL3984293) Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200555 (CHEMBL3984293) Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-7-5-19(6-8-20)18-26-13-15-28(16-14-26)22-17-21(27-9-1-2-10-27)24-23(25-22)29-11-3-4-12-29/h5-8,17H,1-4,9-16,18H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair