BDBM50466028 CHEMBL4289526

SMILES: Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3[nH]cnc3c2)c1F

InChI Key: InChIKey=PPTPKIIVWBVPJA-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 = 50466028   

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))	BDBM50466028 (CHEMBL4289526) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3[nH]cnc3c2)c1F Show InChI InChI=1S/C18H9F3N2O2S/c19-10-6-9(15(20)18(25)16(10)21)17(24)14-4-3-13(26-14)8-1-2-11-12(5-8)23-7-22-11/h1-7,25H,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analys...				J Med Chem 61: 10724-10738 (2018) Article DOI: 10.1021/acs.jmedchem.8b01373 BindingDB Entry DOI: 10.7270/Q2708448
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50466028 (CHEMBL4289526) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2ccc3[nH]cnc3c2)c1F Show InChI InChI=1S/C18H9F3N2O2S/c19-10-6-9(15(20)18(25)16(10)21)17(24)14-4-3-13(26-14)8-1-2-11-12(5-8)23-7-22-11/h1-7,25H,(H,22,23)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
PharmBioTec GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector bas...				J Med Chem 61: 10724-10738 (2018) Article DOI: 10.1021/acs.jmedchem.8b01373 BindingDB Entry DOI: 10.7270/Q2708448
					More data for this Ligand-Target Pair