BDBM50385895 CHEMBL2041362

SMILES: Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1

InChI Key: InChIKey=JLXZFOKLMHPLGF-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 = 50385895   

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))	BDBM50385895 (CHEMBL2041362) Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H	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	196	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))	BDBM50385895 (CHEMBL2041362) Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H	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	15	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))	BDBM50385895 (CHEMBL2041362) Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	403	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