BDBM50077137 CHEMBL3416754
SMILES: [O-]C(=O)C(F)(F)F.CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(C3)Oc3ccc(F)cc3Cl)n2-c2ccc(OC)[nH+]c2)c2cc(ccc12)S(O)(=O)=O
InChI Key: InChIKey=XEJXMWSGACFDCD-UHFFFAOYSA-O
Data: 4 Kd
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50077137 (CHEMBL3416754) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Binding affinity to V1aR (unknown origin) expressed in HEK293 cells by TR-FRET assay | J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50077137 (CHEMBL3416754) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 353 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay | J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1b receptor (Homo sapiens (Human)) | BDBM50077137 (CHEMBL3416754) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Binding affinity to V1bR (unknown origin) expressed in HEK293 cells by TR-FRET assay | J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50077137 (CHEMBL3416754) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL | Assay Description Binding affinity to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay | J Med Chem 58: 2547-52 (2015) Article DOI: 10.1021/jm501395b BindingDB Entry DOI: 10.7270/Q2TB18KT | |||||||||||
More data for this Ligand-Target Pair |