Ki Summary

Reaction Details

Report a problem with these data

Target

Vasopressin V1b receptor

Ligand

BDBM50342030

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_743726 (CHEMBL1767540)

EC50

6.93±n/a nM

Citation

Corbani, M; Trueba, M; Stoev, S; Murat, B; Mion, J; Boulay, V; Guillon, G; Manning, M Design, synthesis, and pharmacological characterization of fluorescent peptides for imaging human V1b vasopressin or oxytocin receptors. J Med Chem54:2864-77 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Vasopressin V1b receptor

Name:

Vasopressin V1b receptor

Synonyms:

Type:

Enzyme

Mol. Mass.:

46985.01

Organism:

Homo sapiens (Human)

Description:

P47901

Residue:

424

Sequence:

MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLG
QLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFA
STYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQG
SGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVG
GGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSV
QMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQ
PRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAE
TIIF

BDBM50342030

n/a

Name

BDBM50342030

Synonyms:

CHEMBL1765665 | triethylamine hemi(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamido)-6-(2-(6-amino-3-imino-4,5-disulfonato-3H-xanthen-9-yl)-5-((2,3,5,6-tetrafluorophenoxy)carbonyl)benzamido)hexanamido)acetate)

Type

Small organic molecule

Emp. Form.

C68H76N12O22S4

Mol. Mass.

1541.659

SMILES

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O |r,wU:19.20,4.3,54.58,wD:8.8,40.42,58.61,36.50,(11.79,6.5,;11.79,4.96,;13.13,4.18,;10.45,4.18,;10.45,2.64,;9.11,1.87,;7.78,2.64,;7.78,4.18,;6.44,1.87,;6.44,.33,;7.78,-.45,;9.11,.33,;10.45,-.45,;10.45,-1.99,;9.11,-2.77,;7.78,-1.99,;5.1,2.64,;3.76,1.87,;3.76,.33,;2.42,2.64,;2.42,4.18,;3.76,4.96,;5.1,4.18,;6.44,4.96,;6.44,6.5,;7.78,7.28,;5.1,7.28,;3.76,6.5,;1.09,1.87,;-.25,1.1,;-1.58,1.87,;-.25,-.44,;-1.58,-2.38,;9.79,-6.18,;19.65,-1.87,;18.5,-.42,;18.48,1.12,;17.14,1.87,;15.8,2.64,;15.8,4.18,;14.47,1.87,;14.39,.33,;15.68,-.52,;17.06,.19,;15.6,-2.05,;13.13,2.64,;11.79,1.87,;11.79,.33,;19.8,1.9,;19.79,3.44,;21.15,1.15,;21.61,2.74,;23.28,2.8,;23.84,1.25,;22.49,.51,;22.54,-1.01,;21.2,-1.73,;23.84,-1.8,;23.8,-3.33,;22.46,-4.06,;22.41,-5.58,;21.07,-6.31,;21.03,-7.83,;19.69,-8.56,;18.36,-7.77,;18.38,-6.23,;17.02,-8.53,;16.99,-10.07,;15.65,-10.82,;14.33,-10.02,;14.35,-8.49,;15.68,-7.74,;13.59,-7.15,;14.38,-5.83,;12.05,-7.14,;12.98,-10.78,;12.96,-12.31,;14.29,-13.1,;14.26,-14.64,;12.92,-15.39,;12.9,-16.93,;11.59,-14.6,;11.61,-13.07,;10.28,-12.28,;10.31,-10.73,;8.99,-9.95,;9.01,-8.42,;7.68,-7.63,;10.35,-7.66,;11.67,-8.45,;11.65,-9.98,;7.65,-10.71,;6.32,-9.92,;6.86,-12.03,;8.4,-12.05,;10.25,-15.36,;8.93,-14.58,;9.47,-16.69,;11.01,-16.7,;25.09,-4.13,;26.44,-3.4,;25.05,-5.65,;26.35,-6.45,;26.31,-7.97,;27.61,-8.77,;24.97,-8.7,)|

Structure