Ki Summary

Reaction Details

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Target

Gonadotropin-releasing hormone receptor

Ligand

BDBM50470092

Substrate

n/a

Meas. Tech.

ChEMBL_100131 (CHEMBL858015)

0.052±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:

BDBM50470092

Synonyms:

CHEMBL428138

Type:

Small organic molecule

Emp. Form.:

C62H78ClN13O10

Mol. Mass.:

1200.817

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(Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(Cl)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,(33.55,-8.61,;33.56,-10.16,;32.24,-10.93,;30.9,-10.18,;29.61,-10.93,;30.86,-8.68,;32.08,-7.78,;31.57,-6.36,;30.05,-6.36,;29.61,-7.8,;28.3,-8.55,;28.28,-10.08,;26.97,-7.78,;26.98,-6.24,;28.3,-5.49,;28.33,-3.96,;29.66,-3.19,;29.68,-1.67,;30.99,-.91,;28.35,-.88,;25.63,-8.54,;24.31,-7.77,;24.31,-6.23,;22.97,-8.52,;22.97,-10.05,;24.28,-10.83,;24.27,-12.37,;25.62,-10.06,;21.65,-7.75,;20.32,-8.49,;20.3,-10.03,;19.01,-7.72,;19.02,-6.2,;18.54,-4.73,;17.09,-4.25,;17.09,-2.71,;18.56,-2.25,;19.18,-.85,;20.71,-.68,;21.61,-1.94,;20.98,-3.35,;19.43,-3.5,;17.67,-8.49,;16.34,-7.71,;16.34,-6.17,;15,-8.45,;14.99,-10,;16.31,-10.77,;16.31,-12.31,;17.64,-13.08,;18.97,-12.34,;20.29,-13.1,;18.98,-10.8,;17.66,-10.02,;13.69,-7.68,;12.36,-8.42,;12.34,-9.98,;11.02,-7.65,;11.04,-6.14,;12.37,-5.37,;9.7,-8.42,;8.36,-7.65,;8.39,-6.11,;7.03,-8.39,;7.01,-9.93,;8.35,-10.72,;9.76,-10.09,;10.77,-11.25,;10,-12.56,;10.44,-14.04,;9.42,-15.16,;7.93,-14.84,;7.46,-13.37,;8.49,-12.24,;5.71,-7.64,;4.38,-8.39,;4.34,-9.9,;3.03,-7.62,;1.58,-8.54,;.07,-7.72,;.01,-6.01,;-1.5,-5.21,;-2.95,-6.11,;-4.43,-5.24,;-2.89,-7.84,;-1.37,-8.64,)|

Structure: