Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470082

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.017±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:

BDBM50470082

Synonyms:

CHEMBL408861

Type:

Small organic molecule

Emp. Form.:

C64H79FN12O10

Mol. Mass.:

1195.3849

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)NC(=O)[C@H](CO)NC(=O)C(Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,(25.92,-4.76,;25.93,-6.28,;24.61,-7.08,;23.26,-6.31,;21.98,-7.08,;23.23,-4.8,;24.45,-3.92,;23.94,-2.49,;22.42,-2.49,;21.98,-3.93,;20.66,-4.67,;20.65,-6.22,;19.33,-3.92,;19.34,-2.38,;20.68,-1.62,;20.69,-.08,;22.03,.68,;22.04,2.21,;23.36,2.98,;20.71,2.99,;17.99,-4.67,;16.67,-3.9,;16.67,-2.36,;15.32,-4.64,;15.32,-6.19,;16.64,-6.98,;16.63,-8.5,;17.98,-6.21,;14,-3.87,;12.67,-4.63,;12.65,-6.15,;11.35,-3.86,;11.36,-2.33,;10.88,-.87,;9.43,-.39,;9.43,1.16,;10.9,1.63,;11.52,3.02,;13.06,3.18,;13.96,1.95,;13.33,.54,;11.78,.38,;10.01,-4.61,;8.68,-3.84,;8.68,-2.29,;7.34,-4.6,;7.34,-6.12,;8.66,-6.91,;8.65,-8.46,;9.98,-9.23,;11.32,-8.47,;12.64,-9.24,;11.33,-6.93,;10,-6.15,;6.02,-3.81,;4.7,-4.57,;4.67,-6.12,;3.36,-3.79,;3.38,-2.26,;4.71,-1.51,;2.03,-4.55,;.69,-3.77,;.72,-2.25,;-.64,-4.53,;-.64,-6.08,;.68,-6.88,;2.04,-6.14,;3.36,-6.93,;3.29,-8.47,;1.96,-9.21,;1.94,-10.75,;.59,-11.49,;-.73,-10.71,;-.71,-9.17,;.64,-8.43,;-1.96,-3.77,;-3.3,-4.51,;-3.28,-6.05,;-4.65,-3.77,;-6.1,-4.73,;-7.62,-3.96,;-7.72,-2.23,;-9.25,-1.46,;-10.7,-2.39,;-12.19,-1.55,;-10.58,-4.13,;-9.06,-4.9,)|

Structure: