BDBM50345129 (S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl)-2-oxoindolin-3-yl)-N,N-dimethylpyrrolidine-2-carboxamide::CHEMBL1779405
SMILES: COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCCC2)cc1OC
InChI Key: InChIKey=RIEZNJOLFDSQNS-YTWZBVJHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vasopressin V1b receptor (Homo sapiens (Human)) | BDBM50345129 ((S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting | Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Oxytocin receptor (Homo sapiens (Human)) | BDBM50345129 ((S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Curated by ChEMBL | Assay Description Displacement of radiolebelled oxytocin from human oxytocin receptor expressed in CHO cells by scintillation counting | Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V1a receptor (Homo sapiens (Human)) | BDBM50345129 ((S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells by scintillation counting | Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50345129 ((S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Curated by ChEMBL | Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells by scintillation counting | Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC | |||||||||||
More data for this Ligand-Target Pair |