BDBM50485599 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]::CHEBI:34457

SMILES: OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O

InChI Key: InChIKey=WBSMIPAMAXNXFS-UHFFFAOYSA-N

Data: 1 IC50  3 EC50

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 = 50485599   

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
Monocarboxylate transporter 4 (Homo sapiens (Human))	BDBM50485599 (5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] | C...) Show SMILES OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of L-Lactate uptake (L-Lactate:30mM) in Xenopus laevis oocytes				J Physiol (Lond) 529: 285-93 (2000) Article DOI: 10.1111/j.1469-7793.2000.00285.x BindingDB Entry DOI: 10.7270/Q2WM1H9H
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50485599 (5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] | C...) Show SMILES OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by FLIPR analysis				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50485599 (5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] | C...) Show SMILES OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	603	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50485599 (5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] | C...) Show SMILES OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
University of Hull Curated by ChEMBL					Assay Description Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay				Eur J Med Chem 170: 141-156 (2019) Article DOI: 10.1016/j.ejmech.2019.02.074
					More data for this Ligand-Target Pair