Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470081

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.056±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:

BDBM50470081

Synonyms:

CHEMBL267843

Type:

Small organic molecule

Emp. Form.:

C65H81BrN12O10

Mol. Mass.:

1270.317

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](Cc1cccc2ccccc12)NC(=O)CCc1ccc(Br)cc1 |wU:58.64,12.20,wD:31.44,23.28,5.4,64.81,45.48,(26.5,-8.03,;26.51,-9.57,;25.2,-10.34,;23.85,-9.59,;22.57,-10.34,;23.82,-8.1,;25.04,-7.2,;24.52,-5.77,;23,-5.79,;22.57,-7.22,;21.25,-7.97,;21.24,-9.5,;19.92,-7.2,;19.93,-5.66,;21.27,-4.91,;21.28,-3.38,;22.62,-2.61,;22.63,-1.09,;23.94,-.33,;21.3,-.3,;18.59,-7.96,;17.27,-7.19,;17.27,-5.65,;15.92,-7.94,;15.92,-9.48,;17.24,-10.25,;18.58,-9.48,;17.23,-11.79,;14.61,-7.17,;13.28,-7.9,;13.26,-9.44,;11.97,-7.13,;11.98,-5.61,;11.5,-4.15,;10.05,-3.67,;10.05,-2.13,;11.52,-1.67,;12.14,-.27,;13.67,-.11,;14.57,-1.36,;13.93,-2.77,;12.39,-2.92,;10.63,-7.9,;9.3,-7.12,;9.3,-5.59,;7.97,-7.87,;7.97,-9.41,;9.28,-10.18,;10.62,-9.43,;11.95,-10.21,;11.94,-11.75,;13.25,-12.51,;10.6,-12.49,;9.27,-11.72,;6.65,-7.1,;6.65,-5.56,;5.3,-7.84,;5.3,-9.4,;3.99,-7.07,;4.01,-5.56,;5.34,-4.79,;2.66,-7.84,;1.33,-7.07,;1.36,-5.53,;,-7.81,;,-9.35,;1.32,-10.15,;2.67,-9.41,;3.99,-10.21,;3.92,-11.75,;2.6,-12.49,;2.58,-14.02,;1.23,-14.77,;-.09,-13.97,;-.06,-12.43,;1.28,-11.69,;-1.32,-7.06,;-2.66,-7.81,;-2.66,-9.31,;-4,-7.04,;-5.44,-7.97,;-6.96,-7.17,;-8.41,-8.08,;-9.91,-7.28,;-10,-5.56,;-11.48,-4.69,;-8.53,-4.65,;-7.03,-5.45,)|

Structure: