BDBM50075050 Alinia::NITAZOXANIDE::Nitazoxanide::PH-5776

SMILES: CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O

InChI Key: InChIKey=YQNQNVDNTFHQSW-UHFFFAOYSA-N

Data: 1 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50075050   

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
Pyruvate-flavodoxin oxidoreductase (Campylobacter jejuni subsp. jejuni)	BDBM50075050 (Alinia | NITAZOXANIDE | Nitazoxanide | PH-5776) Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Health Systems Curated by ChEMBL					Assay Description Inhibition of PFOR Campylobacter jejuni				Antimicrob Agents Chemother 51: 868-76 (2007) Article DOI: 10.1128/aac.01159-06 BindingDB Entry DOI: 10.7270/Q2JM2DDW
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50075050 (Alinia | NITAZOXANIDE | Nitazoxanide | PH-5776) Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50075050 (Alinia | NITAZOXANIDE | Nitazoxanide | PH-5776) Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50075050 (Alinia | NITAZOXANIDE | Nitazoxanide | PH-5776) Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	9.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50075050 (Alinia | NITAZOXANIDE | Nitazoxanide | PH-5776) Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50075050 (Alinia | NITAZOXANIDE | Nitazoxanide | PH-5776) Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50075050 (Alinia | NITAZOXANIDE | Nitazoxanide | PH-5776) Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human AR				J Med Chem 58: 2047-67 (2015) Article DOI: 10.1021/jm500907a BindingDB Entry DOI: 10.7270/Q2D79D4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50075050 (Alinia | NITAZOXANIDE | Nitazoxanide | PH-5776) Show SMILES CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O Show InChI InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair