BDBM50358111 CHEMBL1915940

SMILES: CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1

InChI Key: InChIKey=OKQDICAWOOJXJZ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50358111   

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))	BDBM50358111 (CHEMBL1915940) Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3	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	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins by radio flow detector-based HPLC analysis in presenc...				Eur J Med Chem 46: 5978-90 (2011) Article DOI: 10.1016/j.ejmech.2011.10.010 BindingDB Entry DOI: 10.7270/Q2PN9625
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50358111 (CHEMBL1915940) Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	639	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...				Eur J Med Chem 46: 5978-90 (2011) Article DOI: 10.1016/j.ejmech.2011.10.010 BindingDB Entry DOI: 10.7270/Q2PN9625
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50358111 (CHEMBL1915940) Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis				J Med Chem 56: 167-81 (2013) Article DOI: 10.1021/jm3014053 BindingDB Entry DOI: 10.7270/Q2ZK5J0P
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50358111 (CHEMBL1915940) Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabeled, [2,4,6,7-3H]-estradiol as substrate after 20 mins by HPLC analysis in p...				Eur J Med Chem 69: 201-15 (2013) Article DOI: 10.1016/j.ejmech.2013.08.026 BindingDB Entry DOI: 10.7270/Q2639R58
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50358111 (CHEMBL1915940) Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis				J Med Chem 56: 167-81 (2013) Article DOI: 10.1021/jm3014053 BindingDB Entry DOI: 10.7270/Q2ZK5J0P
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50358111 (CHEMBL1915940) Show SMILES CN(Cc1cccc(O)c1)C(=O)c1cccc(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H19NO3/c1-22(14-15-4-2-7-20(24)12-15)21(25)18-6-3-5-17(13-18)16-8-10-19(23)11-9-16/h2-13,23-24H,14H2,1H3	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabeled, [2,4,6,7-3H]-estrone as substrate after 20 mins by HPLC analysis in pres...				Eur J Med Chem 69: 201-15 (2013) Article DOI: 10.1016/j.ejmech.2013.08.026 BindingDB Entry DOI: 10.7270/Q2639R58
					More data for this Ligand-Target Pair