BDBM50126993 CHEMBL3629448

SMILES: Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1

InChI Key: InChIKey=YSHPCFMDAQOPSD-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 = 50126993   

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
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50126993 (CHEMBL3629448) Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H16N2O6S2/c26-19-6-2-4-16(14-19)23(27)22-12-11-21(32-22)15-3-1-5-17(13-15)24-33(30,31)20-9-7-18(8-10-20)25(28)29/h1-14,24,26H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...				Eur J Med Chem 103: 56-68 (2015) BindingDB Entry DOI: 10.7270/Q22V2HXX
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50126993 (CHEMBL3629448) Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H16N2O6S2/c26-19-6-2-4-16(14-19)23(27)22-12-11-21(32-22)15-3-1-5-17(13-15)24-33(30,31)20-9-7-18(8-10-20)25(28)29/h1-14,24,26H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis				Eur J Med Chem 103: 56-68 (2015) BindingDB Entry DOI: 10.7270/Q22V2HXX
					More data for this Ligand-Target Pair