Affinity Data by PDB ID

PDB code 3S7S

Identical Ligands in BindingDB

Found 7 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aromatase (503/503 = 100%)^† (Homo sapiens (Human))	BDBM50398447 (Aromasin \| EXEMESTANE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	10	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 Competitive inhibition of human aromatase extracted from placental microsomes				Eur J Med Chem 105: 1-38 (2015) Article DOI: 10.1016/j.ejmech.2015.09.038 BindingDB Entry DOI: 10.7270/Q2W66NMZ
The M. S. University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (503/503 = 100%)^† (Homo sapiens (Human))	BDBM50398447 (Aromasin \| EXEMESTANE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	26	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) Article DOI: 10.1016/j.ejmech.2015.09.038 BindingDB Entry DOI: 10.7270/Q2W66NMZ
The M. S. University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (503/503 = 100%)^† (Homo sapiens (Human))	BDBM50398447 (Aromasin \| EXEMESTANE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Health Sciences University of Hokkaido Curated by ChEMBL					Assay Description Inhibition of purified HIV-1 reverse transcriptase				Bioorg Med Chem Lett 27: 2645-2649 (2017) Article DOI: 10.1016/j.bmcl.2017.01.062 BindingDB Entry DOI: 10.7270/Q2CF9SH5
Health Sciences University of Hokkaido Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (503/503 = 100%)^† (Homo sapiens (Human))	BDBM50398447 (Aromasin \| EXEMESTANE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
University of Coimbra Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (503/503 = 100%)^† (Homo sapiens (Human))	BDBM50398447 (Aromasin \| EXEMESTANE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	50.1	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				3D Structure (crystal)
Aromatase (503/503 = 100%)^† (Homo sapiens (Human))	BDBM50398447 (Aromasin \| EXEMESTANE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of aromatase (unknown origin)				Eur J Med Chem 105: 1-38 (2015) Article DOI: 10.1016/j.ejmech.2015.09.038 BindingDB Entry DOI: 10.7270/Q2W66NMZ
The M. S. University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (503/503 = 100%)^† (Homo sapiens (Human))	BDBM50398447 (Aromasin \| EXEMESTANE) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid sc...				Eur J Med Chem 87: 336-45 (2014) Article DOI: 10.1016/j.ejmech.2014.09.074 BindingDB Entry DOI: 10.7270/Q2JH3NWD
University of Coimbra Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output