BDBM50020655 CHEMBL408474::[6-Amino-2-({1-[19-amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carbonyl}-amino)-hexanoylamino]-acetic acid
SMILES: NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(O)=O
InChI Key: InChIKey=ZROKNFKQDJQQGV-FQMYWHBPSA-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 (Sus scrofa) | BDBM50020655![]() (CHEMBL408474 | [6-Amino-2-({1-[19-amino-13-benzyl-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | 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) | BDBM50020655![]() (CHEMBL408474 | [6-Amino-2-({1-[19-amino-13-benzyl-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.60 | 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 of hog kidney renin | J Med Chem 28: 1759-60 (1986) BindingDB Entry DOI: 10.7270/Q2CC0ZNX | |||||||||||
More data for this Ligand-Target Pair |