BDBM50296850 2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid::CHEMBL559044
SMILES: Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(c1)C#N
InChI Key: InChIKey=XRMUPVMLIVXXAW-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50296850 (2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research Curated by ChEMBL | Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50296850 (2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research Curated by ChEMBL | Assay Description Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape change | Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50296850 (2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research Curated by ChEMBL | Assay Description Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation | Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50296850 (2-(1-(3-cyano-4-fluorophenylsulfonyl)-2-methyl-1H-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research Curated by ChEMBL | Assay Description Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change | Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF | |||||||||||
More data for this Ligand-Target Pair |