Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470079

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.033±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:

BDBM50470079

Synonyms:

CHEMBL445681

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)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:58.64,12.20,wD:31.44,23.28,5.4,64.68,45.48,(26.52,-7.4,;26.53,-8.93,;25.21,-9.72,;23.86,-8.96,;22.57,-9.72,;23.83,-7.45,;25.05,-6.57,;24.54,-5.13,;23.01,-5.13,;22.57,-6.58,;21.25,-7.32,;21.24,-8.86,;19.92,-6.57,;19.93,-5.02,;21.28,-4.26,;21.29,-2.71,;22.63,-1.96,;22.64,-.43,;23.96,.34,;21.31,.35,;18.58,-7.32,;17.26,-6.54,;17.26,-5,;15.91,-7.28,;15.91,-8.83,;17.23,-9.62,;18.57,-8.85,;17.22,-11.15,;14.59,-6.51,;13.26,-7.27,;13.24,-8.8,;11.94,-6.5,;11.95,-4.97,;11.47,-3.51,;10.02,-3.03,;10.02,-1.48,;11.49,-1.01,;12.11,.39,;13.65,.55,;14.55,-.69,;13.92,-2.1,;12.37,-2.26,;10.6,-7.25,;9.27,-6.48,;9.27,-4.94,;7.93,-7.24,;7.92,-8.77,;9.24,-9.56,;10.59,-8.8,;11.92,-9.57,;11.91,-11.12,;13.23,-11.89,;10.57,-11.88,;9.24,-11.1,;6.61,-6.45,;6.61,-4.9,;5.28,-7.21,;5.26,-8.77,;3.94,-6.44,;3.96,-4.9,;5.29,-4.15,;2.61,-7.19,;1.27,-6.42,;1.3,-4.89,;-.06,-7.18,;-.09,-8.72,;1.26,-9.51,;2.67,-8.88,;3.68,-10.02,;2.91,-11.36,;3.36,-12.82,;2.33,-13.95,;.84,-13.63,;.36,-12.17,;1.39,-11.04,;-1.38,-6.42,;-2.73,-7.16,;-2.73,-8.69,;-4.08,-6.42,;-5.53,-7.35,;-7.05,-6.58,;-8.49,-7.51,;-10.03,-6.74,;-10.13,-5.02,;-11.64,-4.16,;-8.68,-4.09,;-7.15,-4.87,)|

Structure: