BDBM50339751 (S)-2-(4-chloro-2-((4-(2-(4-fluorophenyl)acetyl)-3-methylpiperazin-1-yl)methyl)phenoxy)acetic acid::CHEMBL1689127
SMILES: C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1C(=O)Cc1ccc(F)cc1
InChI Key: InChIKey=HETDCNLHSCWGNG-HNNXBMFYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50339751 ((S)-2-(4-chloro-2-((4-(2-(4-fluorophenyl)acetyl)-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood Curated by ChEMBL | Assay Description Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux | J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor 44 (Homo sapiens (Human)) | BDBM50339751 ((S)-2-(4-chloro-2-((4-(2-(4-fluorophenyl)acetyl)-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood Curated by ChEMBL | Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay | J Med Chem 54: 1779-88 (2011) Article DOI: 10.1021/jm1014549 BindingDB Entry DOI: 10.7270/Q2H41RQJ | |||||||||||
More data for this Ligand-Target Pair |