BDBM50381581 CHEMBL2018231

SMILES: CC(=O)Nc1ccc(cc1)N1C(=O)O\C(=C/c2ccc(O)c(Br)c2)C1=O

InChI Key: InChIKey=YMJNNHWSYYWKRF-SXGWCWSVSA-N

Data: 1 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 1 hit for monomerid = 50381581   

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
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50381581 (CHEMBL2018231) Show SMILES CC(=O)Nc1ccc(cc1)N1C(=O)O\C(=C/c2ccc(O)c(Br)c2)C1=O Show InChI InChI=1S/C18H13BrN2O5/c1-10(22)20-12-3-5-13(6-4-12)21-17(24)16(26-18(21)25)9-11-2-7-15(23)14(19)8-11/h2-9,23H,1H3,(H,20,22)/b16-9-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant 17-beta-HSD3 expressed in human HeLa cells using androstenedione as substrate preincubated for 30 mins prior substrat...				Bioorg Med Chem 20: 3242-54 (2012) Article DOI: 10.1016/j.bmc.2012.03.052 BindingDB Entry DOI: 10.7270/Q2RF5W2G
					More data for this Ligand-Target Pair