Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470120

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.058±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:

BDBM50470120

Synonyms:

CHEMBL405994

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)CCc1ccccc1F |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(29.72,-9.04,;29.72,-10.57,;28.4,-11.36,;27.07,-10.6,;25.76,-11.36,;27.03,-9.09,;28.24,-8.21,;27.72,-6.77,;26.21,-6.77,;25.78,-8.22,;24.44,-8.96,;24.44,-10.5,;23.12,-8.21,;23.12,-6.66,;24.47,-5.9,;24.47,-4.36,;25.82,-3.6,;25.82,-2.07,;27.16,-1.3,;24.5,-1.29,;21.79,-8.96,;20.45,-8.19,;20.47,-6.64,;19.12,-8.93,;19.1,-10.47,;20.44,-11.26,;20.42,-12.79,;21.77,-10.47,;17.78,-8.15,;16.46,-8.91,;16.45,-10.44,;15.14,-8.14,;15.14,-6.61,;14.68,-5.15,;13.21,-4.67,;13.21,-3.12,;14.69,-2.65,;15.3,-1.26,;16.84,-1.09,;17.74,-2.33,;17.1,-3.74,;15.58,-3.91,;13.81,-8.89,;12.47,-8.12,;12.47,-6.58,;11.11,-8.88,;11.11,-10.41,;12.43,-11.2,;12.43,-12.74,;13.75,-13.52,;15.09,-12.76,;16.42,-13.53,;15.1,-11.21,;13.79,-10.44,;9.79,-8.09,;8.46,-8.85,;8.44,-10.41,;7.14,-8.08,;7.16,-6.54,;8.48,-5.79,;5.8,-8.83,;4.47,-8.06,;4.48,-6.53,;3.13,-8.82,;3.12,-10.36,;4.45,-11.15,;5.87,-10.52,;6.89,-11.66,;6.09,-13,;6.57,-14.46,;5.54,-15.59,;4.03,-15.27,;3.55,-13.81,;4.6,-12.68,;1.81,-8.06,;.46,-8.8,;.56,-10.31,;-.92,-8.12,;-2.31,-9.14,;-3.88,-8.43,;-4.06,-6.73,;-5.62,-6.02,;-7.02,-7.03,;-6.84,-8.73,;-5.27,-9.44,;-5.18,-11.17,)|

Structure: