Reaction Details Report a problem with these data
Target
Vasopressin V1b receptor
Ligand
BDBM50523557
Substrate
n/a
Meas. Tech.
ChEMBL_1890528 (CHEMBL4392282)
EC50
>10.0±n/a nM
Citation
Ichinose, W; Cherepanov, SM; Shabalova, AA; Yokoyama, S; Yuhi, T; Yamaguchi, H; Watanabe, A; Yamamoto, Y; Okamoto, H; Horike, S; Terakawa, J; Daikoku, T; Watanabe, M; Mano, N; Higashida, H; Shuto, S Development of a Highly Potent Analogue and a Long-Acting Analogue of Oxytocin for the Treatment of Social Impairment-Like Behaviors. J Med Chem 62:3297-3310 (2019) [PubMed] Article
More Info.:
Target
Name:
Vasopressin V1b receptor
Synonyms:
AVPR V1b | AVPR V3 | AVPR1B | AVPR3 | Antidiuretic hormone receptor 1b | V1BR_HUMAN | V1bR | VASOPRESSIN V1B | VPR3 | Vasopressin V1b receptor | Vasopressin V1b receptor (V1b) | Vasopressin V3 | Vasopressin V3 receptor
Type:
Enzyme
Mol. Mass.:
46985.01
Organism:
Homo sapiens (Human)
Description:
P47901
Residue:
424
Sequence:
MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
Inhibitor
Name:
BDBM50523557
Synonyms:
CHEMBL4583231
Type:
Small organic molecule
Emp. Form.:
C43H68N12O13S2
Mol. Mass.:
1025.203
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|