BDBM50385883 CHEMBL2041371

SMILES: Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1

InChI Key: InChIKey=TUMIZHMXNVAABX-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 = 50385883   

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 (17beta-HSD1) (Homo sapiens (Human))	BDBM50385883 (CHEMBL2041371) Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C28H20FNO4S/c29-22-6-3-9-25(17-22)35(33,34)30-23-7-1-5-21(15-23)28-26-12-10-19(14-20(26)11-13-27(28)32)18-4-2-8-24(31)16-18/h1-17,30-32H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	462	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra...				J Med Chem 55: 3307-18 (2012) Article DOI: 10.1021/jm201735j BindingDB Entry DOI: 10.7270/Q23J3F0K
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50385883 (CHEMBL2041371) Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C28H20FNO4S/c29-22-6-3-9-25(17-22)35(33,34)30-23-7-1-5-21(15-23)28-26-12-10-19(14-20(26)11-13-27(28)32)18-4-2-8-24(31)16-18/h1-17,30-32H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay				J Med Chem 55: 3307-18 (2012) Article DOI: 10.1021/jm201735j BindingDB Entry DOI: 10.7270/Q23J3F0K
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50385883 (CHEMBL2041371) Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C28H20FNO4S/c29-22-6-3-9-25(17-22)35(33,34)30-23-7-1-5-21(15-23)28-26-12-10-19(14-20(26)11-13-27(28)32)18-4-2-8-24(31)16-18/h1-17,30-32H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	396	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay				J Med Chem 55: 3307-18 (2012) Article DOI: 10.1021/jm201735j BindingDB Entry DOI: 10.7270/Q23J3F0K
					More data for this Ligand-Target Pair