BDBM50016760 19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carboxylic acid (5-amino-1-carbamoyl-pentyl)-amide::CHEMBL416114::N*1*-[1-(5-Amino-1-carbamoyl-pentylcarbamoyl)-2-mercapto-ethyl]-2-[2-(2-{3-(4-ethoxy-phenyl)-2-[2-(1-mercapto-cyclohexyl)-acetylamino]-propionylamino}-3-phenyl-propionylamino)-3-methyl-butyrylamino]-succinamide
SMILES: CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCCN)C(N)=O)cc1
InChI Key: InChIKey=HRFWEUADKZZMBI-YHYOEJKBSA-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 V2 receptor (Homo sapiens (Human)) | BDBM50016760 (19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.30 | 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 Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of human kidney | J Med Chem 32: 391-6 (1989) BindingDB Entry DOI: 10.7270/Q2GM8688 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Sus scrofa) | BDBM50016760 (19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for inhibition of vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney. | J Med Chem 28: 1759-60 (1986) BindingDB Entry DOI: 10.7270/Q2CC0ZNX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Sus scrofa) | BDBM50016760 (19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.80 | 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 Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney | J Med Chem 32: 391-6 (1989) BindingDB Entry DOI: 10.7270/Q2GM8688 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Sus scrofa) | BDBM50016760 (19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for inhibition of vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney. | J Med Chem 28: 1759-60 (1986) BindingDB Entry DOI: 10.7270/Q2CC0ZNX | |||||||||||
More data for this Ligand-Target Pair |