BDBM50232172 CHEMBL4080385

SMILES: Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F

InChI Key: InChIKey=ONXNWUVXVICUKL-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 = 50232172   

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 1 (Homo sapiens (Human))	BDBM50232172 (CHEMBL4080385) Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F Show InChI InChI=1S/C17H8F4O2S/c18-8-1-2-9(11(20)7-8)13-5-6-14(24-13)17(23)15-10(19)3-4-12(22)16(15)21/h1-7,22H	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	3.5	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 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...				Eur J Med Chem 127: 944-957 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WH4
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50232172 (CHEMBL4080385) Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2ccc(F)cc2F)c1F Show InChI InChI=1S/C17H8F4O2S/c18-8-1-2-9(11(20)7-8)13-5-6-14(24-13)17(23)15-10(19)3-4-12(22)16(15)21/h1-7,22H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	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 [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method				Eur J Med Chem 127: 944-957 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WH4
					More data for this Ligand-Target Pair