BDBM50097370 1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-one::4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one::CHEMBL78322
SMILES: Brc1ccc(Cn2ccnc2)c2c1oc1ccccc1c2=O
InChI Key: InChIKey=FSWPWGQUEZXZFV-UHFFFAOYSA-N
Data: 8 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aromatase (Homo sapiens (Human)) | BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human placental microsome cytochrome P450 19A1 aromatase | J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human)) | BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human testicular microsome Steroid 17-alpha-hydroxylase/17,20 lyase | J Med Chem 44: 672-80 (2001) BindingDB Entry DOI: 10.7270/Q28S4P6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Coimbra Curated by ChEMBL | Assay Description Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH | J Med Chem 52: 143-50 (2009) Article DOI: 10.1021/jm800945c BindingDB Entry DOI: 10.7270/Q2SQ9080 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human)) | BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate | J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aromatase (Homo sapiens (Human)) | BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human placental CYP19 using [1beta-3H]androstenedione as substrate by 3H2O-method | J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human)) | BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human CYP17 expressed in Escherichia coli co-expressing rat NADPH-P450-reductase using progesterone as substrate | J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human)) | BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate | J Med Chem 56: 1723-9 (2013) Article DOI: 10.1021/jm301844q BindingDB Entry DOI: 10.7270/Q22808ZV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human)) | BDBM50097370 (1-((1H-imidazol-1-yl)methyl)-4-bromo-9H-xanthen-9-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Accelrys Curated by ChEMBL | Assay Description In vitro inhibition of human Cytochrome P450 17A1 activity | J Med Chem 46: 2345-51 (2003) Article DOI: 10.1021/jm020576u BindingDB Entry DOI: 10.7270/Q2WD41B7 | |||||||||||
More data for this Ligand-Target Pair |