Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470080

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.017±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:

BDBM50470080

Synonyms:

CHEMBL266475

Type:

Small organic molecule

Emp. Form.:

C64H85FN14O11

Mol. Mass.:

1245.4453

SMILES:

CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)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:61.66,12.20,wD:23.28,31.46,5.4,67.70,48.50,(24.58,-7.94,;24.59,-9.48,;23.27,-10.25,;21.92,-9.5,;20.64,-10.25,;21.89,-8,;23.11,-7.1,;22.6,-5.68,;21.08,-5.68,;20.64,-7.12,;19.32,-7.87,;19.31,-9.4,;18,-7.1,;18.01,-5.56,;19.35,-4.81,;19.36,-3.28,;20.69,-2.51,;20.7,-.99,;22.02,-.24,;19.38,-.2,;16.66,-7.86,;15.35,-7.09,;15.35,-5.55,;14,-7.84,;14,-9.37,;15.31,-10.15,;16.65,-9.38,;15.3,-11.69,;12.68,-7.07,;11.36,-7.81,;11.34,-9.35,;10.04,-7.04,;10.12,-5.53,;8.92,-4.56,;9.41,-3.11,;8.08,-2.09,;8.74,-.71,;7.87,.6,;8.54,1.98,;6.32,.45,;5.46,1.73,;3.91,1.59,;3.25,.25,;4.15,-1.04,;5.66,-.91,;8.71,-7.81,;7.38,-7.03,;7.38,-5.5,;6.04,-7.77,;6.03,-9.31,;7.35,-10.08,;7.35,-11.62,;8.67,-12.39,;10.01,-11.66,;11.33,-12.42,;10.02,-10.12,;8.69,-9.34,;4.73,-7,;4.73,-5.46,;3.4,-7.74,;3.38,-9.3,;2.06,-6.97,;2.09,-5.46,;3.41,-4.69,;.74,-7.74,;-.6,-6.97,;-.57,-5.43,;-1.92,-7.71,;-1.95,-9.25,;-.61,-10.04,;.8,-9.41,;1.81,-10.57,;1.04,-11.88,;1.49,-13.36,;.46,-14.48,;-1.03,-14.16,;-1.5,-12.68,;-.47,-11.56,;-3.24,-6.96,;-4.58,-7.71,;-4.59,-9.22,;-5.92,-6.96,;-7.37,-7.87,;-8.88,-7.07,;-10.32,-7.99,;-11.84,-7.2,;-11.92,-5.46,;-13.4,-4.6,;-10.48,-4.57,;-8.95,-5.36,)|

Structure: