BDBM47298 BDBM64616::US9023354, AD4-10960

SMILES: CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O

InChI Key: InChIKey=DEXNORPUTBBNSC-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 47298   

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
Thrombin (Bos taurus (Bovine))	BDBM47298 (BDBM64616 | US9023354, AD4-10960) Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM286J
					More data for this Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11) (Homo sapiens (Human))	BDBM47298 (BDBM64616 | US9023354, AD4-10960) Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2PC30Z9
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM47298 (BDBM64616 | US9023354, AD4-10960) Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	25
TBA US Patent					Assay Description The following example describes an assay that measured the ability of compounds to inhibit the binding of p53 to MDM2 using the AlphaScreen assay tec...				US Patent US9023354 (2015) BindingDB Entry DOI: 10.7270/Q26M35KH
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM47298 (BDBM64616 | US9023354, AD4-10960) Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				J Med Chem 56: 2311-22 (2013) Article DOI: 10.1021/jm301632e BindingDB Entry DOI: 10.7270/Q2348P98
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM47298 (BDBM64616 | US9023354, AD4-10960) Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-1 assessed as conjugated diene product formation using arachidonic acid by ...				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM47298 (BDBM64616 | US9023354, AD4-10960) Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of 12-lipoxygenase in human platelets assessed as reduction of PAR1-AP-induced 12 HETE production by LC-MS/MS analysis				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM47298 (BDBM64616 | US9023354, AD4-10960) Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase 3'-processing activity				J Med Chem 56: 2311-22 (2013) Article DOI: 10.1021/jm301632e BindingDB Entry DOI: 10.7270/Q2348P98
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM47298 (BDBM64616 | US9023354, AD4-10960) Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
					More data for this Ligand-Target Pair