Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470100

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.135±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:

BDBM50470100

Synonyms:

CHEMBL415562

Type:

Small organic molecule

Emp. Form.:

C63H80FN13O10

Mol. Mass.:

1198.3888

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)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:12.20,57.61,wD:45.57,31.44,23.28,5.4,64.68,(26.08,-8.88,;26.08,-10.41,;24.76,-11.2,;23.43,-10.44,;22.12,-11.2,;23.4,-8.93,;24.6,-8.05,;24.09,-6.61,;22.57,-6.61,;22.14,-8.06,;20.8,-8.8,;20.8,-10.34,;19.48,-8.05,;19.48,-6.5,;20.84,-5.74,;20.84,-4.2,;22.19,-3.44,;22.19,-1.91,;23.53,-1.14,;20.87,-1.13,;18.15,-8.8,;16.81,-8.03,;16.83,-6.48,;15.48,-8.77,;15.46,-10.31,;16.8,-11.1,;18.13,-10.31,;16.78,-12.63,;14.14,-7.99,;12.82,-8.75,;12.81,-10.28,;11.5,-7.98,;11.5,-6.45,;11.04,-4.99,;9.57,-4.51,;9.57,-2.96,;11.05,-2.49,;11.66,-1.09,;13.21,-.93,;14.11,-2.17,;13.46,-3.58,;11.94,-3.74,;10.17,-8.73,;8.83,-7.96,;8.83,-6.42,;7.48,-8.72,;7.48,-10.25,;8.8,-11.04,;10.15,-10.28,;11.47,-11.05,;11.47,-12.6,;12.79,-13.37,;10.12,-13.36,;8.8,-12.58,;6.16,-7.93,;4.84,-8.69,;4.81,-10.25,;3.51,-7.92,;3.52,-6.38,;4.84,-5.63,;2.17,-8.67,;.82,-9.44,;.84,-7.9,;.85,-6.37,;-.5,-8.66,;-.51,-10.2,;.82,-10.99,;2.23,-10.36,;3.25,-11.5,;2.46,-12.84,;2.93,-14.3,;1.9,-15.43,;.4,-15.11,;-.09,-13.65,;.97,-12.52,;-1.82,-7.9,;-3.18,-8.64,;-3.14,-10.17,;-4.53,-7.92,;-5.95,-8.86,;-7.5,-8.09,;-8.94,-9.04,;-10.46,-8.28,;-10.58,-6.57,;-12.09,-5.71,;-9.13,-5.61,;-7.6,-6.38,)|

Structure: