Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470130

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.048±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:

BDBM50470130

Synonyms:

CHEMBL217175

Type:

Small organic molecule

Emp. Form.:

C65H81FN12O10

Mol. Mass.:

1209.4114

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](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:58.64,12.20,wD:31.44,23.28,5.4,64.81,45.48,(29.62,-3.96,;29.63,-5.48,;28.31,-6.27,;26.96,-5.51,;25.67,-6.27,;26.93,-4,;28.15,-3.12,;27.64,-1.68,;26.09,-1.68,;25.67,-3.13,;24.36,-3.87,;24.35,-5.41,;23.03,-3.12,;23.04,-1.58,;24.38,-.81,;24.39,.73,;25.73,1.48,;25.74,3.01,;27.06,3.78,;24.41,3.79,;21.69,-3.87,;20.37,-3.1,;20.37,-1.55,;19.02,-3.84,;19.02,-5.38,;20.34,-6.17,;21.68,-5.4,;20.33,-7.7,;17.7,-3.07,;16.37,-3.83,;16.35,-5.35,;15.05,-3.06,;15.06,-1.52,;14.58,-.06,;13.13,.42,;13.13,1.96,;14.6,2.43,;15.22,3.83,;16.76,3.99,;17.66,2.75,;17.02,1.34,;15.48,1.18,;13.71,-3.81,;12.38,-3.03,;12.38,-1.49,;11.04,-3.79,;11.04,-5.32,;12.36,-6.11,;13.7,-5.35,;15.03,-6.12,;15.02,-7.66,;16.34,-8.44,;13.68,-8.43,;12.35,-7.65,;9.72,-3,;9.72,-1.46,;8.39,-3.76,;8.37,-5.32,;7.05,-2.99,;7.08,-1.46,;8.4,-.71,;5.72,-3.74,;4.38,-2.97,;4.42,-1.45,;3.06,-3.73,;3.06,-5.27,;4.37,-6.08,;5.74,-5.34,;7.05,-6.12,;6.99,-7.66,;5.64,-8.4,;5.64,-9.95,;4.29,-10.69,;2.97,-9.91,;2.99,-8.36,;4.34,-7.62,;1.74,-2.97,;.4,-3.71,;.43,-5.24,;-.99,-3,;-2.4,-3.97,;-3.94,-3.23,;-5.36,-4.19,;-6.9,-3.45,;-7.03,-1.74,;-8.55,-.91,;-5.62,-.77,;-4.07,-1.51,)|

Structure: