Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470124

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.033±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:

BDBM50470124

Synonyms:

CHEMBL437632

Type:

Small organic molecule

Emp. Form.:

C62H78FN13O10

Mol. Mass.:

1184.3622

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)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(28.48,-7.02,;28.49,-8.55,;27.17,-9.33,;25.82,-8.56,;24.53,-9.33,;25.79,-7.07,;27.01,-6.18,;26.49,-4.74,;24.97,-4.76,;24.53,-6.18,;23.22,-6.94,;23.21,-8.46,;21.89,-6.18,;21.9,-4.64,;23.24,-3.87,;23.25,-2.35,;24.59,-1.59,;24.6,-.04,;25.92,.71,;23.27,.73,;20.55,-6.92,;19.23,-6.15,;19.23,-4.61,;17.88,-6.91,;17.88,-8.45,;19.2,-9.23,;19.19,-10.77,;20.54,-8.46,;16.56,-6.14,;15.23,-6.89,;15.21,-8.42,;13.92,-6.12,;13.93,-4.57,;13.45,-3.13,;12,-2.65,;12,-1.1,;13.47,-.62,;14.09,.76,;15.62,.92,;16.52,-.32,;15.89,-1.74,;14.35,-1.87,;12.58,-6.88,;11.25,-6.09,;11.25,-4.56,;9.91,-6.86,;9.9,-8.39,;11.22,-9.17,;11.22,-10.71,;12.55,-11.48,;13.88,-10.73,;15.2,-11.48,;13.9,-9.19,;12.57,-8.4,;8.59,-6.07,;7.26,-6.82,;7.24,-8.37,;5.92,-6.05,;5.95,-4.53,;7.27,-3.77,;4.6,-6.81,;3.26,-6.04,;3.29,-4.51,;1.93,-6.79,;1.91,-8.34,;3.25,-9.11,;4.66,-8.5,;5.67,-9.64,;4.9,-10.97,;5.35,-12.44,;4.32,-13.56,;2.83,-13.24,;2.36,-11.77,;3.39,-10.65,;.61,-6.02,;-.73,-6.76,;-.71,-8.29,;-2.09,-6.04,;-3.52,-6.99,;-5.07,-6.21,;-5.16,-4.51,;-6.71,-3.74,;-8.13,-4.7,;-9.64,-3.86,;-8.02,-6.41,;-6.48,-7.18,)|

Structure: