Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470089

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.052±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:

BDBM50470089

Synonyms:

CHEMBL429365

Type:

Small organic molecule

Emp. Form.:

C62H77F2N13O10

Mol. Mass.:

1202.3527

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@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)c(F)c1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(30.24,-8.6,;30.26,-10.14,;28.94,-10.91,;27.6,-10.16,;26.31,-10.91,;27.57,-8.66,;28.78,-7.76,;28.27,-6.34,;26.73,-6.34,;26.32,-7.78,;24.99,-8.53,;24.97,-10.07,;23.65,-7.76,;23.67,-6.22,;25,-5.47,;25.02,-3.93,;26.35,-3.16,;26.37,-1.64,;27.7,-.88,;25.03,-.85,;22.33,-8.52,;21,-7.75,;21.01,-6.21,;19.66,-8.5,;19.65,-10.03,;20.98,-10.82,;20.95,-12.36,;22.3,-10.04,;18.33,-7.73,;16.99,-8.47,;16.99,-10.01,;15.67,-7.7,;15.69,-6.17,;15.22,-4.71,;13.76,-4.22,;13.76,-2.68,;15.22,-2.22,;15.85,-.81,;17.38,-.65,;18.28,-1.91,;17.66,-3.32,;16.12,-3.47,;14.35,-8.47,;13,-7.69,;13,-6.15,;11.67,-8.44,;11.67,-9.98,;12.99,-10.75,;12.97,-12.3,;14.31,-13.07,;15.64,-12.33,;16.96,-13.09,;15.66,-10.78,;14.32,-10,;10.36,-7.66,;9.02,-8.4,;9,-9.97,;7.7,-7.63,;7.7,-6.12,;9.04,-5.35,;6.35,-8.4,;5.03,-7.63,;5.05,-6.09,;3.68,-8.37,;3.68,-9.92,;5,-10.71,;6.41,-10.08,;7.44,-11.23,;6.66,-12.55,;7.12,-14.03,;6.09,-15.16,;4.58,-14.84,;4.12,-13.36,;5.16,-12.23,;2.36,-7.62,;1.03,-8.37,;1.09,-9.88,;-.34,-7.66,;-1.76,-8.66,;-3.31,-7.94,;-3.46,-6.24,;-5.02,-5.51,;-6.43,-6.51,;-7.96,-5.7,;-6.26,-8.21,;-7.74,-9.14,;-4.72,-8.94,)|

Structure: