Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470114

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.076±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:

BDBM50470114

Synonyms:

CHEMBL268620

Type:

Small organic molecule

Emp. Form.:

C60H77ClN12O11

Mol. Mass.:

1177.78

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](Cc1ccc(O)cc1)NC(=O)CCc1ccc(Cl)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.76,(26.47,-8.93,;26.47,-10.46,;25.15,-11.24,;23.82,-10.47,;22.51,-11.24,;23.79,-8.98,;24.99,-8.09,;24.47,-6.64,;22.96,-6.64,;22.53,-8.09,;21.19,-8.85,;21.19,-10.37,;19.87,-8.09,;19.87,-6.54,;21.22,-5.77,;21.22,-4.25,;22.57,-3.48,;22.57,-1.94,;23.91,-1.19,;21.25,-1.17,;18.54,-8.83,;17.2,-8.06,;17.22,-6.51,;15.87,-8.82,;15.85,-10.34,;17.19,-11.15,;17.17,-12.68,;18.52,-10.37,;14.53,-8.05,;13.21,-8.8,;13.2,-10.31,;11.89,-8.03,;11.89,-6.48,;11.43,-5.03,;9.96,-4.55,;9.96,-3,;11.44,-2.52,;12.05,-1.14,;13.59,-.98,;14.49,-2.22,;13.85,-3.64,;12.33,-3.78,;10.56,-8.79,;9.22,-7.99,;9.22,-6.47,;7.86,-8.77,;7.86,-10.3,;9.18,-11.08,;10.54,-10.31,;11.86,-11.1,;11.86,-12.65,;13.17,-13.4,;10.5,-13.4,;9.18,-12.63,;6.54,-7.98,;5.22,-8.73,;5.19,-10.28,;3.89,-7.96,;3.91,-6.44,;5.22,-5.68,;2.55,-8.72,;1.22,-7.95,;1.23,-6.42,;-.12,-8.7,;-.12,-10.25,;1.2,-11.05,;2.55,-10.31,;3.87,-11.1,;3.83,-12.65,;5.16,-13.45,;2.48,-13.39,;1.17,-12.6,;-1.44,-7.93,;-2.79,-8.69,;-2.74,-10.21,;-4.14,-7.96,;-5.57,-8.95,;-7.11,-8.19,;-8.53,-9.15,;-10.07,-8.41,;-10.22,-6.69,;-11.74,-5.87,;-8.79,-5.73,;-7.24,-6.48,)|

Structure: