BindingDB PrimarySearch

BDBM50240798 (8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione::4-hyroxyandrostenedione::CHEMBL132530::FORMESTANE

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4C(=O)C(=O)CC[C@]34C)[C@@H]1CCC2=O

InChI Key: InChIKey=ZMEULISFKSVRLQ-AZXRADLDSA-N

Data: 5 KI 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50240798
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Roussel-UCLAF Curated by ChEMBL					Assay Description Inhibition constant for human placental cytochrome P450 19A1				J Med Chem 35: 1588-97 (1992) BindingDB Entry DOI: 10.7270/Q2VD7022
Centre de Recherches Roussel-UCLAF Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Irreversible inhibition of human aromatase extracted from placental microsomes				Eur J Med Chem 105: 1-38 (2015) BindingDB Entry DOI: 10.7270/Q2W66NMZ
The M. S. University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 with the use of human placental microsomal preparation				J Med Chem 29: 582-4 (1986) BindingDB Entry DOI: 10.7270/Q2VM4DFW
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	542	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Binding affinity(KI) for formation of reversible enzyme-ligand complex with human placental aromatase (PL2)				J Med Chem 32: 203-13 (1989) BindingDB Entry DOI: 10.7270/Q2736RHX
University of Washington Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental aromatase assessed as conversion of [1beta-3H]androstenedione to [1beta-3H]estrone after 20 mins by liquid scintillatio...				Eur J Med Chem 44: 4121-7 (2009) Article DOI: 10.1016/j.ejmech.2009.05.003 BindingDB Entry DOI: 10.7270/Q27D2V58
Universidade de Coimbra Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Roussel-UCLAF Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 19A1				J Med Chem 35: 1588-97 (1992) BindingDB Entry DOI: 10.7270/Q2VD7022
Centre de Recherches Roussel-UCLAF Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Oporto Curated by ChEMBL					Assay Description Inhibitory concentration against aromatase protein from human placental microsomes using [1-beta-3H]-androstenedione; Competitive inhibition				J Med Chem 48: 6379-85 (2005) Article DOI: 10.1021/jm050129p BindingDB Entry DOI: 10.7270/Q25M66GD
University of Oporto Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tampa Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin) using dibenzylfluorescein as substrate after 30 mins by fluorescence assay				J Nat Prod 76: 1966-9 (2013) Article DOI: 10.1021/np400585t BindingDB Entry DOI: 10.7270/Q2N87C7M
The University of Tampa Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48.6	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Upstate Medical University Curated by ChEMBL					Assay Description Inhibition of human placental aromatase using [3H]-1beta-androstenedione as substrate after 16 hrs by [3H]-water method				J Med Chem 55: 8464-76 (2012) Article DOI: 10.1021/jm300930n BindingDB Entry DOI: 10.7270/Q2BZ675S
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
University of Coimbra Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Upstate Medical University Curated by ChEMBL					Assay Description Inhibition of particulate fractions of human breast cancer derived aromatase				J Med Chem 59: 5131-48 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D2S
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 19A1 aromatase from human placental microsomes				Bioorg Med Chem Lett 7: 403-408 (1997) Article DOI: 10.1016/S0960-894X(97)00033-4 BindingDB Entry DOI: 10.7270/Q2X06722
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of aromatase in human placental microsomes assessed as tritiated water release after 15 mins using [1beta, 3H]androstenedione as substrate...				Eur J Med Chem 43: 1865-77 (2008) Article DOI: 10.1016/j.ejmech.2007.11.021 BindingDB Entry DOI: 10.7270/Q2ZW1KPN
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of human aromatase using androstenedione as substrate assessed as estrone formation at 10 uM after 30 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 24: 1730-3 (2014) Article DOI: 10.1016/j.bmcl.2014.02.039 BindingDB Entry DOI: 10.7270/Q2CR5VWH
Hanyang University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1				J Med Chem 34: 2496-504 (1991) BindingDB Entry DOI: 10.7270/Q2MG7Q45
Tohoku College of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50240798 ((8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human placental aromatase				Eur J Med Chem 45: 5612-20 (2010) Checked by Author Article DOI: 10.1016/j.ejmech.2010.09.011 BindingDB Entry DOI: 10.7270/Q2G44QH8
					More data for this Ligand-Target Pair