BDBM50023153 CHEMBL3298951

SMILES: OCc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1

InChI Key: InChIKey=OTTUKFWYXDYDMT-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 = 50023153   

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))	BDBM50023153 (CHEMBL3298951) Show SMILES OCc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C18H14O3S/c19-11-12-3-1-4-13(9-12)16-7-8-17(22-16)18(21)14-5-2-6-15(20)10-14/h1-10,19-20H,11H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis				Eur J Med Chem 82: 394-406 (2014) Article DOI: 10.1016/j.ejmech.2014.05.074 BindingDB Entry DOI: 10.7270/Q2KD20G2
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50023153 (CHEMBL3298951) Show SMILES OCc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C18H14O3S/c19-11-12-3-1-4-13(9-12)16-7-8-17(22-16)18(21)14-5-2-6-15(20)10-14/h1-10,19-20H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis				Eur J Med Chem 82: 394-406 (2014) Article DOI: 10.1016/j.ejmech.2014.05.074 BindingDB Entry DOI: 10.7270/Q2KD20G2
					More data for this Ligand-Target Pair