BDBM50159655 2-(3-Chloro-phenyl)-benzo[h]chromen-4-one::CHEMBL368236
SMILES: Clc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
InChI Key: InChIKey=GTBLQVSIEGDPPV-UHFFFAOYSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM50159655 (2-(3-Chloro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University Curated by ChEMBL | Assay Description Inhibition of DNA dependent protein kinase isolated from HeLa cells | J Med Chem 48: 569-85 (2005) Article DOI: 10.1021/jm049526a BindingDB Entry DOI: 10.7270/Q2BK1BV9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylic ester hydrolase (Sus scrofa) | BDBM50159655 (2-(3-Chloro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University Curated by ChEMBL | Assay Description Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho... | Bioorg Med Chem Lett 27: 850-854 (2017) Article DOI: 10.1016/j.bmcl.2017.01.020 BindingDB Entry DOI: 10.7270/Q2PC34PC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50159655 (2-(3-Chloro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and... | Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111938 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50159655 (2-(3-Chloro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and... | Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111938 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1B1 (Homo sapiens (Human)) | BDBM50159655 (2-(3-Chloro-phenyl)-benzo[h]chromen-4-one | CHEMBL...) | 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 | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiao Tong University Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP1B1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and... | Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111938 | |||||||||||
More data for this Ligand-Target Pair |