BDBM50271108 2-(6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile::CHEMBL483900
SMILES: CC(C)(O)C#Cc1ccc2c3[nH]c(nc3c3ccc(Cl)cc3c2c1)-c1c(cccc1C#N)C#N
InChI Key: InChIKey=XHYZCGGTDZPVPB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50271108 (2-(6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum | Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50271108 (2-(6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells | Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human)) | BDBM50271108 (2-(6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-ph...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of TX synthase | Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase 2 (Homo sapiens (Human)) | BDBM50271108 (2-(6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-ph...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of human PGES2 | Bioorg Med Chem Lett 19: 5837-41 (2009) Article DOI: 10.1016/j.bmcl.2009.08.085 BindingDB Entry DOI: 10.7270/Q2MG7PKK | |||||||||||
More data for this Ligand-Target Pair |