Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470119

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.071±n/a nM

Citation

Haviv, F; Fitzpatrick, TD; Nichols, CJ; Bush, EN; Diaz, G; Bammert, G; Nguyen, AT; Johnson, ES; Knittle, J; Greer, J In vitro and in vivo activities of reduced-size antagonists of luteinizing hormone-releasing hormone. J Med Chem 37:701-5 (1994) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Gonadotropin-releasing hormone receptor

Synonyms:

GNRHR_RAT | GnRH receptor | GnRH-R | Gnrhr

Type:

PROTEIN

Mol. Mass.:

37767.60

Organism:

Rattus norvegicus

Description:

ChEMBL_1335047

Residue:

327

Sequence:

MANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL

Inhibitor

Name:

BDBM50470119

Synonyms:

CHEMBL383952

Type:

Small organic molecule

Emp. Form.:

C63H80ClN13O10

Mol. Mass.:

1214.843

SMILES:

CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(Cl)cc1 |wU:58.64,12.20,wD:31.44,23.28,5.4,64.68,45.48,(20.14,-1.88,;20.14,-3.42,;18.82,-4.19,;17.5,-3.44,;16.19,-4.19,;17.46,-1.94,;18.66,-1.04,;18.15,.39,;16.64,.38,;16.21,-1.06,;14.87,-1.81,;14.87,-3.34,;13.55,-1.04,;13.55,.5,;14.9,1.25,;14.9,2.79,;16.25,3.56,;16.25,5.08,;17.59,5.84,;14.93,5.87,;12.22,-1.8,;10.88,-1.03,;10.9,.51,;9.55,-1.78,;9.53,-3.32,;10.87,-4.1,;12.2,-3.32,;10.85,-5.64,;8.21,-1.01,;6.89,-1.75,;6.88,-3.29,;5.57,-.98,;5.57,.55,;5.11,2.02,;3.64,2.5,;3.64,4.04,;5.12,4.5,;5.74,5.91,;7.28,6.07,;8.18,4.81,;7.54,3.4,;6.01,3.25,;4.22,-1.75,;2.91,-.96,;2.91,.57,;1.55,-1.72,;1.55,-3.26,;2.87,-4.03,;4.22,-3.28,;5.54,-4.06,;5.53,-5.61,;6.86,-6.37,;4.19,-6.35,;2.87,-5.57,;.24,-.94,;.26,.6,;-1.09,-1.68,;-1.11,-3.25,;-2.41,-.91,;-2.4,.6,;-1.08,1.37,;-3.75,-1.68,;-5.08,-.91,;-5.07,.63,;-6.42,-1.65,;-6.43,-3.19,;-5.1,-3.99,;-3.69,-3.36,;-2.67,-4.51,;-3.46,-5.83,;-2.99,-7.31,;-4.02,-8.44,;-5.52,-8.12,;-6,-6.64,;-4.95,-5.51,;-7.74,-.9,;-9.09,-1.65,;-9.07,-3.16,;-10.44,-.91,;-11.89,-1.84,;-13.4,-1.07,;-14.85,-2.03,;-16.35,-1.25,;-16.47,.47,;-17.96,1.32,;-15.04,1.42,;-13.5,.63,)|

Structure: