BDBM50126972 CHEMBL3629586

SMILES: Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F

InChI Key: InChIKey=VPUOBTGZCXRQOY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50126972   

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))	BDBM50126972 (CHEMBL3629586) Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F Show InChI InChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	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 2 (Rattus norvegicus)	BDBM50126972 (CHEMBL3629586) Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F Show InChI InChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of rat liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 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
Estradiol 17-beta-dehydrogenase 1 (Rattus norvegicus)	BDBM50126972 (CHEMBL3629586) Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F Show InChI InChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of recombinant rat 17beta HSD1 expressed in HEK293 cells using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins ...				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))	BDBM50126972 (CHEMBL3629586) Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)c1F Show InChI InChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H	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	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