BDBM50357463 CHEMBL1917897

SMILES: Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1

InChI Key: InChIKey=RBRJVQYANZHRMU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50357463   

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))	BDBM50357463 (CHEMBL1917897) Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1 Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis				J Med Chem 54: 7547-57 (2011) Article DOI: 10.1021/jm2008453 BindingDB Entry DOI: 10.7270/Q2M045V0
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50357463 (CHEMBL1917897) Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1 Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	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 [3H]E2 as substrate by HPLC analysis				J Med Chem 54: 7547-57 (2011) Article DOI: 10.1021/jm2008453 BindingDB Entry DOI: 10.7270/Q2M045V0
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50357463 (CHEMBL1917897) Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1 Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H	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	611	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 [3H]E1 as substrate by HPLC analysis				J Med Chem 54: 7547-57 (2011) Article DOI: 10.1021/jm2008453 BindingDB Entry DOI: 10.7270/Q2M045V0
					More data for this Ligand-Target Pair