BDBM50020673 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-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide::CHEMBL438014
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(=O)NCC(N)=O)cc1
InChI Key: InChIKey=SDFJYGJKEXYVCG-ZEKYCDCFSA-N
Data: 2 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)) | BDBM50020673 (1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1 | 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 Binding affinity of compound towards Vasopressin receptor by binding [3H]-LVP to dog renal medullary preparation. | J Med Chem 32: 880-4 (1989) BindingDB Entry DOI: 10.7270/Q2ZK5FNZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin V2 receptor (Sus scrofa) | BDBM50020673 (1-[19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane | J Med Chem 29: 984-8 (1986) BindingDB Entry DOI: 10.7270/Q27M06W4 | |||||||||||
More data for this Ligand-Target Pair |