BDBM50020654 1-[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-carbonyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-4-guanidino-butyl)-amide::CHEMBL262423
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)N2CCC[C@H]2C(=O)N[C@H](CCCNC(N)=N)C(N)=O)cc1
InChI Key: InChIKey=DRLYXDZRLDZVIS-WJYIYHQASA-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) | BDBM50020654 (1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.90 | 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 [3H]-LVP binding to vasopressin receptor in 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) | BDBM50020654 (1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibition against V2 vasopressin receptor in pig renal medullary membrane preparations. | J Med Chem 29: 2425-6 (1987) BindingDB Entry DOI: 10.7270/Q23T9G6Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Sus scrofa) | BDBM50020654 (1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 12 | 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 |