BDBM50390661 CHEMBL2070000

SMILES: OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O

InChI Key: InChIKey=AXXXOGSGNKVKOF-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 = 50390661   

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
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50390661 (CHEMBL2070000) Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H8BrFN2O5/c15-8-2-4-11(9(6-8)14(20)21)17-13(19)7-1-3-10(16)12(5-7)18(22)23/h1-6H,(H,17,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 using 1-acenaphthenol as substrate by spectrophotometry				Bioorg Med Chem Lett 22: 5948-51 (2012) Article DOI: 10.1016/j.bmcl.2012.07.062 BindingDB Entry DOI: 10.7270/Q2BK1DFR
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50390661 (CHEMBL2070000) Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H8BrFN2O5/c15-8-2-4-11(9(6-8)14(20)21)17-13(19)7-1-3-10(16)12(5-7)18(22)23/h1-6H,(H,17,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 using 1-acenaphthenol as substrate by spectrophotometry				Bioorg Med Chem Lett 22: 5948-51 (2012) Article DOI: 10.1016/j.bmcl.2012.07.062 BindingDB Entry DOI: 10.7270/Q2BK1DFR
					More data for this Ligand-Target Pair