BDBM50515451 CHEMBL4584616

SMILES: Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(Cl)nc3)c(F)cc2F)c1F

InChI Key: InChIKey=JKHGXFOISOLZKF-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 = 50515451   

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 (Mus musculus)	BDBM50515451 (CHEMBL4584616) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(Cl)nc3)c(F)cc2F)c1F Show InChI InChI=1S/C22H10ClF5N2O4S2/c23-18-4-1-9(8-29-18)36(33,34)30-15-6-10(12(24)7-13(15)25)16-2-3-17(35-16)21(31)11-5-14(26)20(28)22(32)19(11)27/h1-8,30,32H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
ElexoPharm GmbH Curated by ChEMBL					Assay Description Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis				J Med Chem 62: 7289-7301 (2019) Article DOI: 10.1021/acs.jmedchem.9b00932
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (Homo sapiens (Human))	BDBM50515451 (CHEMBL4584616) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(Cl)nc3)c(F)cc2F)c1F Show InChI InChI=1S/C22H10ClF5N2O4S2/c23-18-4-1-9(8-29-18)36(33,34)30-15-6-10(12(24)7-13(15)25)16-2-3-17(35-16)21(31)11-5-14(26)20(28)22(32)19(11)27/h1-8,30,32H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
ElexoPharm GmbH Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis				J Med Chem 62: 7289-7301 (2019) Article DOI: 10.1021/acs.jmedchem.9b00932
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50515451 (CHEMBL4584616) Show SMILES Oc1c(F)c(F)cc(C(=O)c2ccc(s2)-c2cc(NS(=O)(=O)c3ccc(Cl)nc3)c(F)cc2F)c1F Show InChI InChI=1S/C22H10ClF5N2O4S2/c23-18-4-1-9(8-29-18)36(33,34)30-15-6-10(12(24)7-13(15)25)16-2-3-17(35-16)21(31)11-5-14(26)20(28)22(32)19(11)27/h1-8,30,32H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
ElexoPharm GmbH Curated by ChEMBL					Assay Description Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis				J Med Chem 62: 7289-7301 (2019) Article DOI: 10.1021/acs.jmedchem.9b00932
					More data for this Ligand-Target Pair