BDBM50023752 1-[13-Benzyl-19-carbamoylmethyl-10-(4-ethoxy-benzyl)-16-isopropyl-8,11,14,17,20-pentaoxo-9,12,15,18,21-pentaaza-spiro[5.19]pentacosane-22-carbonyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-4-guanidino-butyl)-amide::CHEMBL2372316
SMILES: [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1
InChI Key: InChIKey=ZUMPOMZMYPMDJG-KUJGFEKRSA-N
Data: 3 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 V2 receptor (Sus scrofa) | BDBM50023752 (1-[13-Benzyl-19-carbamoylmethyl-10-(4-ethoxy-benzy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories Curated by ChEMBL | Assay Description In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in... | J Med Chem 31: 1487-9 (1988) BindingDB Entry DOI: 10.7270/Q2S46QZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50023752 (1-[13-Benzyl-19-carbamoylmethyl-10-(4-ethoxy-benzy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories Curated by ChEMBL | Assay Description In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in... | J Med Chem 31: 1487-9 (1988) BindingDB Entry DOI: 10.7270/Q2S46QZN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50023752 (1-[13-Benzyl-19-carbamoylmethyl-10-(4-ethoxy-benzy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories Curated by ChEMBL | Assay Description In vitro antagonist activity was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in human | J Med Chem 31: 1487-9 (1988) BindingDB Entry DOI: 10.7270/Q2S46QZN | |||||||||||
More data for this Ligand-Target Pair |