BDBM93582 5-(4-morpholinyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one::5-Morpholin-4-yl-2-(4-nitro-phenyl)-2,4-dihydro-pyrazol-3-one::5-morpholin-4-yl-2-(4-nitrophenyl)-4H-pyrazol-3-one::5-morpholino-2-(4-nitrophenyl)-2-pyrazolin-3-one::MLS001047248::SMR000427083::cid_574330

SMILES: Oc1cc([n-]n1-c1ccc(cc1)[N+]([O-])=O)=[N+]1CCOCC1

InChI Key: InChIKey=WITCNJVHXPNMCT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 93582   

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-3 (Homo sapiens (Human))	BDBM93582 (5-(4-morpholinyl)-2-(4-nitrophenyl)-4H-pyrazol-3-o...) Show SMILES Oc1cc([n-]n1-c1ccc(cc1)[N+]([O-])=O)=[N+]1CCOCC1 |(9.9,.76,;8.44,1.24,;7.96,2.7,;6.42,2.7,;5.95,1.24,;7.19,.33,;7.19,-1.21,;5.86,-1.98,;5.86,-3.52,;7.19,-4.29,;8.53,-3.52,;8.53,-1.98,;7.19,-5.83,;5.86,-6.6,;8.53,-6.6,;5.52,3.95,;3.99,3.79,;3.08,5.03,;3.71,6.44,;5.24,6.6,;6.14,5.35,)| Show InChI InChI=1S/C13H14N4O4/c18-13-9-12(15-5-7-21-8-6-15)14-16(13)10-1-3-11(4-2-10)17(19)20/h1-4,9H,5-8H2,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2930RSV
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM93582 (5-(4-morpholinyl)-2-(4-nitrophenyl)-4H-pyrazol-3-o...) Show SMILES Oc1cc([n-]n1-c1ccc(cc1)[N+]([O-])=O)=[N+]1CCOCC1 |(9.9,.76,;8.44,1.24,;7.96,2.7,;6.42,2.7,;5.95,1.24,;7.19,.33,;7.19,-1.21,;5.86,-1.98,;5.86,-3.52,;7.19,-4.29,;8.53,-3.52,;8.53,-1.98,;7.19,-5.83,;5.86,-6.6,;8.53,-6.6,;5.52,3.95,;3.99,3.79,;3.08,5.03,;3.71,6.44,;5.24,6.6,;6.14,5.35,)| Show InChI InChI=1S/C13H14N4O4/c18-13-9-12(15-5-7-21-8-6-15)14-16(13)10-1-3-11(4-2-10)17(19)20/h1-4,9H,5-8H2,(H,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM93582 (5-(4-morpholinyl)-2-(4-nitrophenyl)-4H-pyrazol-3-o...) Show SMILES Oc1cc([n-]n1-c1ccc(cc1)[N+]([O-])=O)=[N+]1CCOCC1 |(9.9,.76,;8.44,1.24,;7.96,2.7,;6.42,2.7,;5.95,1.24,;7.19,.33,;7.19,-1.21,;5.86,-1.98,;5.86,-3.52,;7.19,-4.29,;8.53,-3.52,;8.53,-1.98,;7.19,-5.83,;5.86,-6.6,;8.53,-6.6,;5.52,3.95,;3.99,3.79,;3.08,5.03,;3.71,6.44,;5.24,6.6,;6.14,5.35,)| Show InChI InChI=1S/C13H14N4O4/c18-13-9-12(15-5-7-21-8-6-15)14-16(13)10-1-3-11(4-2-10)17(19)20/h1-4,9H,5-8H2,(H,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ
					More data for this Ligand-Target Pair