BDBM50272734 2-(6-Chloro-9H-carbazol-2-yl)-propionic acid 2-nitrooxy-propyl ester::CHEMBL498529

SMILES: CC(COC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc21)O[N+]([O-])=O

InChI Key: InChIKey=IIOBHBNTLZNXBM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50272734   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50272734 (2-(6-Chloro-9H-carbazol-2-yl)-propionic acid 2-nit...) Show SMILES CC(COC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc21)O[N+]([O-])=O Show InChI InChI=1S/C18H17ClN2O5/c1-10(26-21(23)24)9-25-18(22)11(2)12-3-5-14-15-8-13(19)4-6-16(15)20-17(14)7-12/h3-8,10-11,20H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood				Bioorg Med Chem Lett 18: 4655-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.018 BindingDB Entry DOI: 10.7270/Q2G73DH6
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50272734 (2-(6-Chloro-9H-carbazol-2-yl)-propionic acid 2-nit...) Show SMILES CC(COC(=O)C(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc21)O[N+]([O-])=O Show InChI InChI=1S/C18H17ClN2O5/c1-10(26-21(23)24)9-25-18(22)11(2)12-3-5-14-15-8-13(19)4-6-16(15)20-17(14)7-12/h3-8,10-11,20H,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood				Bioorg Med Chem Lett 18: 4655-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.018 BindingDB Entry DOI: 10.7270/Q2G73DH6
					More data for this Ligand-Target Pair