BDBM50360227 CHEMBL1928180

SMILES: Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1

InChI Key: InChIKey=SNTRAHWDNCHXDM-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 = 50360227   

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))	BDBM50360227 (CHEMBL1928180) Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C20H15FO3/c1-12-10-15(7-9-18(12)22)13-2-4-14(5-3-13)20(24)16-6-8-17(21)19(23)11-16/h2-11,22-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human cytosolic 17beta-HSD1 in cell-free system using [2,4,6,7-3H]E1 as substrate after 10 mins by radioflow detector				Eur J Med Chem 47: 1-17 (2012) Article DOI: 10.1016/j.ejmech.2011.09.004 BindingDB Entry DOI: 10.7270/Q2QV3MZW
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50360227 (CHEMBL1928180) Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C20H15FO3/c1-12-10-15(7-9-18(12)22)13-2-4-14(5-3-13)20(24)16-6-8-17(21)19(23)11-16/h2-11,22-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50360227 (CHEMBL1928180) Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C20H15FO3/c1-12-10-15(7-9-18(12)22)13-2-4-14(5-3-13)20(24)16-6-8-17(21)19(23)11-16/h2-11,22-23H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay				J Med Chem 59: 10719-10737 (2016) Article DOI: 10.1021/acs.jmedchem.6b01436 BindingDB Entry DOI: 10.7270/Q2KH0Q9S
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50360227 (CHEMBL1928180) Show SMILES Cc1cc(ccc1O)-c1ccc(cc1)C(=O)c1ccc(F)c(O)c1 Show InChI InChI=1S/C20H15FO3/c1-12-10-15(7-9-18(12)22)13-2-4-14(5-3-13)20(24)16-6-8-17(21)19(23)11-16/h2-11,22-23H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector				Eur J Med Chem 47: 1-17 (2012) Article DOI: 10.1016/j.ejmech.2011.09.004 BindingDB Entry DOI: 10.7270/Q2QV3MZW
					More data for this Ligand-Target Pair