Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470127

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.029±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:

BDBM50470127

Synonyms:

CHEMBL2369141

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:57.63,12.20,63.67,wD:45.57,31.44,23.28,5.4,(37.09,-9.27,;37.09,-10.82,;35.77,-11.59,;34.44,-10.84,;33.14,-11.59,;34.41,-9.34,;35.61,-8.44,;35.1,-7.01,;33.59,-7.01,;33.16,-8.46,;31.82,-9.21,;31.82,-10.74,;30.5,-8.44,;30.5,-6.89,;31.85,-6.14,;31.85,-4.61,;33.2,-3.84,;33.2,-2.32,;34.54,-1.55,;31.88,-1.52,;29.17,-9.2,;27.83,-8.43,;27.85,-6.88,;26.5,-9.18,;26.48,-10.71,;27.82,-11.49,;27.8,-13.04,;29.15,-10.72,;25.16,-8.4,;23.84,-9.14,;23.83,-10.69,;22.52,-8.37,;22.52,-6.85,;22.06,-5.38,;20.59,-4.9,;20.59,-3.36,;22.07,-2.89,;22.68,-1.49,;24.23,-1.33,;25.13,-2.58,;24.48,-4,;22.96,-4.15,;21.19,-9.14,;19.85,-8.36,;19.85,-6.83,;18.5,-9.11,;18.5,-10.66,;19.82,-11.43,;19.82,-12.97,;21.14,-13.74,;22.49,-13,;23.81,-13.76,;22.49,-11.46,;21.17,-10.68,;17.18,-8.34,;15.87,-9.08,;15.83,-10.62,;14.54,-8.31,;14.55,-6.8,;15.87,-6.02,;13.2,-9.08,;11.87,-8.31,;11.88,-6.76,;10.53,-9.05,;10.52,-10.59,;11.85,-11.38,;13.26,-10.75,;14.28,-11.91,;13.49,-13.23,;13.96,-14.71,;12.93,-15.83,;11.43,-15.51,;10.95,-14.03,;12,-12.91,;9.21,-8.3,;7.86,-9.05,;7.89,-10.56,;6.51,-8.31,;5.08,-9.27,;3.54,-8.52,;3.42,-6.8,;1.88,-6.05,;.45,-7.01,;-1.05,-6.17,;.58,-8.73,;2.12,-9.47,)|

Structure: