BDBM50385891 CHEMBL2041378

SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1

InChI Key: InChIKey=AJKBVOKBNKWIQX-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 = 50385891   

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))	BDBM50385891 (CHEMBL2041378) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33)	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	240	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))	BDBM50385891 (CHEMBL2041378) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33)	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	12	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))	BDBM50385891 (CHEMBL2041378) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C30H24N2O5S/c1-19(33)31-24-10-12-27(13-11-24)38(36,37)32-25-6-2-5-23(17-25)30-28-14-8-21(16-22(28)9-15-29(30)35)20-4-3-7-26(34)18-20/h2-18,32,34-35H,1H3,(H,31,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	408	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