BDBM22962 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-(pyridin-3-yl)acetamide::CHEMBL329480::Indomethacin derivative, 15::JMC522846 Compound 12
SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3)c2c1
InChI Key: InChIKey=DTAPHQYAZUTCIG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM22962 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >6.60E+4 | n/a | n/a | n/a | n/a | 8.0 | 37 |
Vanderbilt University School of Medicine | Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr... | Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM22962 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | 37 |
Vanderbilt University School of Medicine | Assay Description For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by tr... | Proc Natl Acad Sci U S A 97: 925-30 (2000) Article DOI: 10.1073/pnas.97.2.925 BindingDB Entry DOI: 10.7270/Q2XP736G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM22962 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (66 nM) using [14C]-AA (50 uM) was determined | J Med Chem 43: 2860-70 (2000) BindingDB Entry DOI: 10.7270/Q22806VP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM22962 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine Curated by ChEMBL | Assay Description In vitro inhibitory activity against ovine Prostaglandin G/H synthase 1 (44 nM) using [14C]AA (50 uM) was determined | J Med Chem 43: 2860-70 (2000) BindingDB Entry DOI: 10.7270/Q22806VP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sterol 14-alpha demethylase (CYP51) (Trypanosoma cruzi) | BDBM22962 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 290 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University | Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... | J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG | |||||||||||
More data for this Ligand-Target Pair |