BDBM50413715 CHEMBL457544
SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1F)c1ccc(OC)nc1
InChI Key: InChIKey=DKPKYJWPTURBIV-UHFFFAOYSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Oxytocin receptor (Homo sapiens (Human)) | BDBM50413715 (CHEMBL457544) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay | Bioorg Med Chem Lett 19: 528-32 (2008) Article DOI: 10.1016/j.bmcl.2008.11.018 BindingDB Entry DOI: 10.7270/Q2N29Z5F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50413715 (CHEMBL457544) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Antagonist activity at human recombinant oxytocin receptor expressed in CHO cells by FLIPR assay | Bioorg Med Chem Lett 19: 528-32 (2008) Article DOI: 10.1016/j.bmcl.2008.11.018 BindingDB Entry DOI: 10.7270/Q2N29Z5F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50413715 (CHEMBL457544) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Antagonist activity at human recombinant vasopressin V1a receptor expressed in CHO cells by FLIPR assay | Bioorg Med Chem Lett 19: 528-32 (2008) Article DOI: 10.1016/j.bmcl.2008.11.018 BindingDB Entry DOI: 10.7270/Q2N29Z5F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50413715 (CHEMBL457544) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Antagonist activity at human recombinant vasopressin V2 receptor expressed in yeast cells by FLIPR assay | Bioorg Med Chem Lett 19: 528-32 (2008) Article DOI: 10.1016/j.bmcl.2008.11.018 BindingDB Entry DOI: 10.7270/Q2N29Z5F | |||||||||||
More data for this Ligand-Target Pair |