Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470097

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:

BDBM50470097

Synonyms:

CHEMBL262235

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@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.80,(30.87,-6.95,;30.88,-8.47,;29.57,-9.26,;28.22,-8.5,;26.93,-9.26,;28.18,-6.99,;29.41,-6.11,;28.89,-4.67,;27.37,-4.67,;26.93,-6.12,;25.61,-6.86,;25.6,-8.4,;24.28,-6.11,;24.29,-4.57,;25.63,-3.81,;25.64,-2.26,;26.98,-1.51,;26.99,.02,;28.31,.79,;25.66,.8,;22.94,-6.86,;21.62,-6.09,;21.62,-4.55,;20.27,-6.83,;20.27,-8.37,;21.59,-9.17,;21.58,-10.69,;22.93,-8.39,;18.95,-6.06,;17.62,-6.82,;17.6,-8.34,;16.31,-6.05,;16.32,-4.51,;15.83,-3.06,;14.39,-2.57,;14.39,-1.03,;15.85,-.56,;16.48,.84,;18.01,1,;18.91,-.24,;18.28,-1.65,;16.73,-1.81,;14.97,-6.8,;13.64,-6.02,;13.64,-4.48,;12.3,-6.79,;12.29,-8.31,;13.6,-9.1,;13.6,-10.62,;14.93,-11.42,;16.27,-10.66,;17.59,-11.43,;16.28,-9.11,;14.95,-8.34,;10.98,-5.99,;9.65,-6.75,;9.63,-8.31,;8.31,-5.98,;8.33,-4.45,;9.66,-3.7,;6.98,-6.73,;5.64,-5.96,;5.67,-4.44,;4.31,-6.72,;4.31,-8.27,;5.63,-9.07,;6.99,-8.33,;8.31,-9.11,;8.24,-10.66,;6.91,-11.4,;6.89,-12.94,;5.54,-13.68,;4.22,-12.9,;4.25,-11.35,;5.6,-10.61,;2.99,-5.96,;1.64,-6.7,;1.72,-8.21,;.26,-6.02,;-1.15,-7.02,;-2.7,-6.31,;-2.88,-4.61,;-4.43,-3.9,;-5.84,-4.9,;-7.36,-4.12,;-5.65,-6.6,;-4.11,-7.31,)|

Structure: