BDBM50207445 CHEMBL254377::N-(2-(1-(4-bromobenzyl)-5-methoxy-2-methyl-1H-indol-3-yl)ethyl)-4-chlorobenzamide
SMILES: COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CCNC(=O)c3ccc(Cl)cc3)c2c1
InChI Key: InChIKey=MQQQZZQXRFMAFM-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase (Homo sapiens (Human)) | BDBM50207445 (CHEMBL254377 | N-(2-(1-(4-bromobenzyl)-5-methoxy-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | 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 | n/a |
Institute for Chemical Biology and Center in Molecular Toxicology Curated by ChEMBL | Assay Description Inhibition of COX2 | J Med Chem 50: 1425-41 (2007) Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50207445 (CHEMBL254377 | N-(2-(1-(4-bromobenzyl)-5-methoxy-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | 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 | n/a | n/a |
Institute for Chemical Biology and Center in Molecular Toxicology Curated by ChEMBL | Assay Description Inhibition of COX1 | J Med Chem 50: 1425-41 (2007) Article DOI: 10.1021/jm0613166 BindingDB Entry DOI: 10.7270/Q2P26XTQ | |||||||||||
More data for this Ligand-Target Pair |