BDBM50126964 CHEMBL3629456

SMILES: COc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1

InChI Key: InChIKey=BMKOUCJMXNCXLU-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 = 50126964   

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))	BDBM50126964 (CHEMBL3629456) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C24H19NO5S2/c1-30-20-9-4-10-21(15-20)32(28,29)25-18-7-2-5-16(13-18)22-11-12-23(31-22)24(27)17-6-3-8-19(26)14-17/h2-15,25-26H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	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))	BDBM50126964 (CHEMBL3629456) Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C24H19NO5S2/c1-30-20-9-4-10-21(15-20)32(28,29)25-18-7-2-5-16(13-18)22-11-12-23(31-22)24(27)17-6-3-8-19(26)14-17/h2-15,25-26H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	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