BDBM10019 (2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate::JMC503540 Compound 4::YM511-based dual aromatase-sulfatase inhibitor (DASI) 6::dual aromatase-sulfatase inhibitor 6
SMILES: NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
InChI Key: InChIKey=FFEGGMQPNANNRK-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM10019 ((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.5 | 37 |
University of Bath | Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ... | J Med Chem 46: 3193-6 (2003) Article DOI: 10.1021/jm034033b BindingDB Entry DOI: 10.7270/Q2HT2MHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM10019 ((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | 7.5 | 37 |
University of Bath | Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ... | J Med Chem 46: 3193-6 (2003) Article DOI: 10.1021/jm034033b BindingDB Entry DOI: 10.7270/Q2HT2MHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM10019 ((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology (BHU) Curated by ChEMBL | Assay Description Inhibition of aromatase (unknown origin) | Eur J Med Chem 177: 116-143 (2019) Article DOI: 10.1016/j.ejmech.2019.05.023 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM10019 ((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath | Assay Description The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ... | J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steryl-sulfatase (Homo sapiens (Human)) | BDBM10019 ((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology (BHU) Curated by ChEMBL | Assay Description Inhibition of sulfatase (unknown origin) | Eur J Med Chem 177: 116-143 (2019) Article DOI: 10.1016/j.ejmech.2019.05.023 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM10019 ((2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.5 | 37 |
University of Bath | Assay Description The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using ... | J Med Chem 50: 3540-60 (2007) Article DOI: 10.1021/jm061462b BindingDB Entry DOI: 10.7270/Q2348HP4 | |||||||||||
More data for this Ligand-Target Pair |