BDBM50462392 CHEMBL4248154
SMILES: Oc1nnn(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1cccc(c1)C(F)(F)F
InChI Key: InChIKey=UOVUCZJYIVHOBC-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome c oxidase subunit 2 (Homo sapiens (Human)) | BDBM50462392 (CHEMBL4248154) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino Curated by ChEMBL | Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA | Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto-reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50462392 (CHEMBL4248154) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... | Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50462392 (CHEMBL4248154) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino Curated by ChEMBL | Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA | Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human)) | BDBM50462392 (CHEMBL4248154) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino Curated by ChEMBL | Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... | Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT | |||||||||||
More data for this Ligand-Target Pair |