BDBM50174351 CHEMBL196707::[5-Fluoro-1-(4-methanesulfonyl-benzenesulfonyl)-2-methyl-1H-indol-3-yl]-acetic acid
SMILES: Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
InChI Key: InChIKey=HKLGBZGYRPIFOH-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)) | BDBM50174351 (CHEMBL196707 | [5-Fluoro-1-(4-methanesulfonyl-benz...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd. Curated by ChEMBL | Assay Description Binding affinity towards human CRTH2 receptor expressed in CHO cells | J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50174351 (CHEMBL196707 | [5-Fluoro-1-(4-methanesulfonyl-benz...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd. Curated by ChEMBL | Assay Description Antagonistic activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced calcium mobilization after 60 mins by Fluo-3 based fluores... | J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostanoid DP receptor (Homo sapiens (Human)) | BDBM50174351 (CHEMBL196707 | [5-Fluoro-1-(4-methanesulfonyl-benz...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd. Curated by ChEMBL | Assay Description Binding affinity towards human DP receptor expressed in CHO cells | J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50174351 (CHEMBL196707 | [5-Fluoro-1-(4-methanesulfonyl-benz...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd. Curated by ChEMBL | Assay Description Concentration required to inhibit PGD-2 induced chemotaxis of Th2 cells expressing CRTH2 | J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50174351 (CHEMBL196707 | [5-Fluoro-1-(4-methanesulfonyl-benz...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd. Curated by ChEMBL | Assay Description Inhibition of CRTH2 in human whole blood | J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50174351 (CHEMBL196707 | [5-Fluoro-1-(4-methanesulfonyl-benz...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd. Curated by ChEMBL | Assay Description Concentration required to inhibit PGD-2 (10 nM) stimulated [Ca2+] flux in CHO cells expressing human CRTH2 receptor | J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50174351 (CHEMBL196707 | [5-Fluoro-1-(4-methanesulfonyl-benz...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Oxagen Ltd. Curated by ChEMBL | Assay Description Concentration required to inhibit PGD-2 induced change in the shape of human eosinophils expressing CRTH2 | J Med Chem 48: 6174-7 (2005) Article DOI: 10.1021/jm050519b BindingDB Entry DOI: 10.7270/Q2KK9B9B | |||||||||||
More data for this Ligand-Target Pair |