Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470086

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.018±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:

BDBM50470086

Synonyms:

CHEMBL2369140

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:57.63,12.20,63.76,wD:45.57,31.44,23.28,5.4,(27.37,-7.76,;27.37,-9.28,;26.05,-10.07,;24.72,-9.31,;23.41,-10.07,;24.68,-7.8,;25.89,-6.92,;25.37,-5.48,;23.86,-5.48,;23.43,-6.93,;22.09,-7.67,;22.09,-9.22,;20.77,-6.92,;20.77,-5.37,;22.12,-4.61,;22.12,-3.07,;23.47,-2.32,;23.47,-.78,;24.81,-.01,;22.15,,;19.44,-7.67,;18.1,-6.9,;18.12,-5.35,;16.77,-7.64,;16.75,-9.18,;18.09,-9.98,;18.07,-11.5,;19.42,-9.2,;15.43,-6.87,;14.11,-7.63,;14.1,-9.15,;12.79,-6.86,;12.79,-5.32,;12.33,-3.86,;10.86,-3.38,;10.86,-1.83,;12.34,-1.36,;12.95,.03,;14.49,.19,;15.39,-1.04,;14.75,-2.46,;13.23,-2.62,;11.46,-7.61,;10.12,-6.83,;10.12,-5.29,;8.76,-7.6,;8.76,-9.12,;10.08,-9.91,;11.44,-9.15,;12.76,-9.92,;12.76,-11.47,;14.08,-12.24,;11.4,-12.23,;10.08,-11.44,;7.45,-6.8,;6.13,-7.56,;6.09,-9.12,;4.8,-6.79,;4.81,-5.26,;6.13,-4.51,;3.45,-7.54,;2.12,-6.77,;2.13,-5.25,;.78,-7.53,;.78,-9.08,;2.1,-9.88,;3.45,-9.14,;4.77,-9.92,;4.73,-11.47,;6.06,-12.27,;3.38,-12.21,;2.07,-11.43,;-.54,-6.77,;-1.89,-7.51,;-1.82,-9.04,;-3.25,-6.82,;-4.67,-7.8,;-6.23,-7.06,;-7.63,-8.05,;-9.17,-7.32,;-9.33,-5.6,;-10.87,-4.8,;-7.92,-4.61,;-6.36,-5.35,)|

Structure: